(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide

C105H103Cl2F3N12O25S4 — CID 158387683

IUPAC(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc2c(c1)OCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C28H29N3O7S.C26H24F3N3O6S.C26H27N3O6S.C25H23Cl2N3O6S/c1-18-6-4-5-7-26(18)39(35,36)30-28(34)29-23(15-21-10-8-20(9-11-21)14-19(2)32)27(33)31(3)22-12-13-24-25(16-22)38-17-37-24;1-16-6-3-4-9-23(16)39(35,36)31-25(34)30-20(13-17-7-5-8-18(12-17)26(27,28)29)24(33)32(2)19-10-11-21-22(14-19)38-15-37-21;1-17-8-10-19(11-9-17)14-21(25(30)29(3)20-12-13-22-23(15-20)35-16-34-22)27-26(31)28-36(32,33)24-7-5-4-6-18(24)2;1-15-5-3-4-6-23(15)37(33,34)29-25(32)28-20(11-16-7-8-17(26)12-19(16)27)24(31)30(2)18-9-10-21-22(13-18)36-14-35-21/h4-13,16,23H,14-15,17H2,1-3H3,(H2,29,30,34);3-12,14,20H,13,15H2,1-2H3,(H2,30,31,34);4-13,15,21H,14,16H2,1-3H3,(H2,27,28,31);3-10,12-13,20H,11,14H2,1-2H3,(H2,28,29,32)/t23-;20-;21-;20-/m0000/s1
InChIKeyGWOGFSPWDRCEIH-OPBFMWHZSA-N
MW2189.21 g/mol
LogP14.71
Rot. Bonds30

About (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide

(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 158387683) has the molecular formula C105H103Cl2F3N12O25S4 and a molecular weight of 2189.21 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID158387683
Molecular FormulaC105H103Cl2F3N12O25S4
Molecular Weight2189.21 g/mol
Exact Mass2186.54
IUPAC Name(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc2c(c1)OCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C28H29N3O7S.C26H24F3N3O6S.C26H27N3O6S.C25H23Cl2N3O6S/c1-18-6-4-5-7-26(18)39(35,36)30-28(34)29-23(15-21-10-8-20(9-11-21)14-19(2)32)27(33)31(3)22-12-13-24-25(16-22)38-17-37-24;1-16-6-3-4-9-23(16)39(35,36)31-25(34)30-20(13-17-7-5-8-18(12-17)26(27,28)29)24(33)32(2)19-10-11-21-22(14-19)38-15-37-21;1-17-8-10-19(11-9-17)14-21(25(30)29(3)20-12-13-22-23(15-20)35-16-34-22)27-26(31)28-36(32,33)24-7-5-4-6-18(24)2;1-15-5-3-4-6-23(15)37(33,34)29-25(32)28-20(11-16-7-8-17(26)12-19(16)27)24(31)30(2)18-9-10-21-22(13-18)36-14-35-21/h4-13,16,23H,14-15,17H2,1-3H3,(H2,29,30,34);3-12,14,20H,13,15H2,1-2H3,(H2,30,31,34);4-13,15,21H,14,16H2,1-3H3,(H2,27,28,31);3-10,12-13,20H,11,14H2,1-2H3,(H2,28,29,32)/t23-;20-;21-;20-/m0000/s1
InChIKeyGWOGFSPWDRCEIH-OPBFMWHZSA-N
XLogP14.71
TPSA473.23 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002189.21
LogP ≤ 514.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 118038667
(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 118039079
N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-(2,4,5-trifluorophenyl)propanamide
CID 122510071
N-(1,3-benzodioxol-5-yl)-2-[(3,5-dichlorophenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 122510005
2-(benzenesulfonylcarbamoylamino)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 122510040
(2S)-N-(1,3-benzodioxol-5-yl)-2-(tert-butylsulfonylcarbamoylamino)-N-methyl-3-phenylpropanamide
CID 118047726
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 118047697
methyl 2-[[(2S)-1-[1,3-benzodioxol-5-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoylsulfamoyl]benzoate
CID 118037964
3-[(3S)-4-[1,3-benzodioxol-5-yl(methyl)amino]-3-[(2-methylphenyl)sulfonylcarbamoylamino]-4-oxobutyl]benzamide
CID 135264839
N-(1,3-benzodioxol-5-yl)-N-methyl-2-[[2-(1-methylpyrazol-4-yl)phenyl]sulfonylcarbamoylamino]-3-phenylpropanamide
CID 122509973
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[[oxo-(oxomethylidene)-(2-propan-2-ylphenyl)-λ6-sulfanyl]carbamoylamino]-3-phenylpropanamide
CID 144836004

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 158387683) is (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide is CC(=O)Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccc(C[C@H](NC(=O)NS(=O)(=O)c2ccccc2C)C(=O)N(C)c2ccc3c(c2)OCO3)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(C)c1ccc2c(c1)OCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)c1ccc2c(c1)OCO2.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GWOGFSPWDRCEIH-OPBFMWHZSA-N. The full InChI is InChI=1S/C28H29N3O7S.C26H24F3N3O6S.C26H27N3O6S.C25H23Cl2N3O6S/c1-18-6-4-5-7-26(18)39(35,36)30-28(34)29-23(15-21-10-8-20(9-11-21)14-19(2)32)27(33)31(3)22-12-13-24-25(16-22)38-17-37-24;1-16-6-3-4-9-23(16)39(35,36)31-25(34)30-20(13-17-7-5-8-18(12-17)26(27,28)29)24(33)32(2)19-10-11-21-22(14-19)38-15-37-21;1-17-8-10-19(11-9-17)14-21(25(30)29(3)20-12-13-22-23(15-20)35-16-34-22)27-26(31)28-36(32,33)24-7-5-4-6-18(24)2;1-15-5-3-4-6-23(15)37(33,34)29-25(32)28-20(11-16-7-8-17(26)12-19(16)27)24(31)30(2)18-9-10-21-22(13-18)36-14-35-21/h4-13,16,23H,14-15,17H2,1-3H3,(H2,29,30,34);3-12,14,20H,13,15H2,1-2H3,(H2,30,31,34);4-13,15,21H,14,16H2,1-3H3,(H2,27,28,31);3-10,12-13,20H,11,14H2,1-2H3,(H2,28,29,32)/t23-;20-;21-;20-/m0000/s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2189.21 g/mol, XLogP of 14.71, 30 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-3-(4-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[4-(2-oxopropyl)phenyl]propanamide;(2S)-N-(1,3-benzodioxol-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 158387683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).