3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

C149H144F6N24O26S3 — CID 157452098

IUPAC3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CCN1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C(N[C@@H](c2cccs2)C(F)(F)F)C1=O.CC[C@@H](CC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CN(C)C(=O)c1cccc(NC2=C(NC(c3ccc[nH]3)C(F)(F)F)C(=O)N(c3ccccc3)C2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1
InChIInChI=1S/C27H27N3O4S.C26H26N4O5.C25H22F3N5O4.C25H24N4O5.C25H24N4O4S.C21H21F3N4O4S/c1-4-17(22-14-9-15-35-22)16-20-23(27(34)30(26(20)33)18-10-6-5-7-11-18)28-21-13-8-12-19(24(21)31)25(32)29(2)3;1-4-18(20-14-9-15-35-20)27-21-22(26(34)30(25(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)31)24(32)29(2)3;1-32(2)22(35)15-10-6-11-16(20(15)34)30-18-19(31-21(25(26,27)28)17-12-7-13-29-17)24(37)33(23(18)36)14-8-4-3-5-9-14;2*1-15(19-13-8-14-34-19)26-20-21(25(33)29(24(20)32)16-9-5-4-6-10-16)27-18-12-7-11-17(22(18)30)23(31)28(2)3;1-4-28-19(31)14(25-12-8-5-7-11(16(12)29)18(30)27(2)3)15(20(28)32)26-17(21(22,23)24)13-9-6-10-33-13/h5-15,17,28,31H,4,16H2,1-3H3;5-15,18,27-28,31H,4H2,1-3H3;3-13,21,29-31,34H,1-2H3;2*4-15,26-27,30H,1-3H3;5-10,17,25-26,29H,4H2,1-3H3/t17-;18-;;;15-;17-/m01..10/s1
InChIKeyBSXONKZVBFBXOB-DMZZITJTSA-N
MW2897.12 g/mol
LogP22.11
Rot. Bonds44

About 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 157452098) has the molecular formula C149H144F6N24O26S3 and a molecular weight of 2897.12 g/mol. Its IUPAC name is 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID157452098
Molecular FormulaC149H144F6N24O26S3
Molecular Weight2897.12 g/mol
Exact Mass2894.97
IUPAC Name3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CCN1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C(N[C@@H](c2cccs2)C(F)(F)F)C1=O.CC[C@@H](CC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CN(C)C(=O)c1cccc(NC2=C(NC(c3ccc[nH]3)C(F)(F)F)C(=O)N(c3ccccc3)C2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1
InChIInChI=1S/C27H27N3O4S.C26H26N4O5.C25H22F3N5O4.C25H24N4O5.C25H24N4O4S.C21H21F3N4O4S/c1-4-17(22-14-9-15-35-22)16-20-23(27(34)30(26(20)33)18-10-6-5-7-11-18)28-21-13-8-12-19(24(21)31)25(32)29(2)3;1-4-18(20-14-9-15-35-20)27-21-22(26(34)30(25(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)31)24(32)29(2)3;1-32(2)22(35)15-10-6-11-16(20(15)34)30-18-19(31-21(25(26,27)28)17-12-7-13-29-17)24(37)33(23(18)36)14-8-4-3-5-9-14;2*1-15(19-13-8-14-34-19)26-20-21(25(33)29(24(20)32)16-9-5-4-6-10-16)27-18-12-7-11-17(22(18)30)23(31)28(2)3;1-4-28-19(31)14(25-12-8-5-7-11(16(12)29)18(30)27(2)3)15(20(28)32)26-17(21(22,23)24)13-9-6-10-33-13/h5-15,17,28,31H,4,16H2,1-3H3;5-15,18,27-28,31H,4H2,1-3H3;3-13,21,29-31,34H,1-2H3;2*4-15,26-27,30H,1-3H3;5-10,17,25-26,29H,4H2,1-3H3/t17-;18-;;;15-;17-/m01..10/s1
InChIKeyBSXONKZVBFBXOB-DMZZITJTSA-N
XLogP22.11
TPSA641.92 Ų
H-Bond Donors18
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002897.12
LogP ≤ 522.11
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 157452098) is 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CCN1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C(N[C@@H](c2cccs2)C(F)(F)F)C1=O.CC[C@@H](CC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1ccco1.CN(C)C(=O)c1cccc(NC2=C(NC(c3ccc[nH]3)C(F)(F)F)C(=O)N(c3ccccc3)C2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(c2ccccc2)C1=O)c1cccs1.
What is the InChIKey of 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is BSXONKZVBFBXOB-DMZZITJTSA-N. The full InChI is InChI=1S/C27H27N3O4S.C26H26N4O5.C25H22F3N5O4.C25H24N4O5.C25H24N4O4S.C21H21F3N4O4S/c1-4-17(22-14-9-15-35-22)16-20-23(27(34)30(26(20)33)18-10-6-5-7-11-18)28-21-13-8-12-19(24(21)31)25(32)29(2)3;1-4-18(20-14-9-15-35-20)27-21-22(26(34)30(25(21)33)16-10-6-5-7-11-16)28-19-13-8-12-17(23(19)31)24(32)29(2)3;1-32(2)22(35)15-10-6-11-16(20(15)34)30-18-19(31-21(25(26,27)28)17-12-7-13-29-17)24(37)33(23(18)36)14-8-4-3-5-9-14;2*1-15(19-13-8-14-34-19)26-20-21(25(33)29(24(20)32)16-9-5-4-6-10-16)27-18-12-7-11-17(22(18)30)23(31)28(2)3;1-4-28-19(31)14(25-12-8-5-7-11(16(12)29)18(30)27(2)3)15(20(28)32)26-17(21(22,23)24)13-9-6-10-33-13/h5-15,17,28,31H,4,16H2,1-3H3;5-15,18,27-28,31H,4H2,1-3H3;3-13,21,29-31,34H,1-2H3;2*4-15,26-27,30H,1-3H3;5-10,17,25-26,29H,4H2,1-3H3/t17-;18-;;;15-;17-/m01..10/s1.
What are the key properties of 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 2897.12 g/mol, XLogP of 22.11, 44 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dioxo-1-phenyl-4-[(2S)-2-thiophen-2-ylbutyl]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-1-phenyl-4-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[1-ethyl-2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxo-1-phenylpyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 157452098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).