N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate

C130H173BrClN15O24S6 — CID 159104111

IUPACN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(C#N)c2ccccc2)c(Cl)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(Oc2ccccc2)c1.CCC(C)COC(=O)/C=C/c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2oc3ccccc3c12.Cn1cc(Br)c(-c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)n1
InChIInChI=1S/C23H28ClN3O3S.C23H36N2O5S.C22H28N2O5S.C22H26N2O4S.C21H28N2O4S.C19H27BrN4O3S/c1-23(2,3)31(29,30)26-14-8-7-11-22(28)27-18-12-13-19(21(24)15-18)20(16-25)17-9-5-4-6-10-17;1-6-18(2)17-30-22(27)15-12-19-10-13-20(14-11-19)25-21(26)9-7-8-16-24-31(28,29)23(3,4)5;1-22(2,3)30(26,27)23-14-8-7-11-19(25)24-16-12-13-18-20(21(16)28-4)15-9-5-6-10-17(15)29-18;1-22(2,3)29(27,28)23-13-7-6-10-20(25)24-15-11-12-17-16-8-4-5-9-18(16)21(26)19(17)14-15;1-21(2,3)28(25,26)22-15-8-7-14-20(24)23-17-10-9-13-19(16-17)27-18-11-5-4-6-12-18;1-19(2,3)28(26,27)21-11-6-5-10-17(25)22-15-9-7-8-14(12-15)18-16(20)13-24(4)23-18/h4-6,9-10,12-13,15,20,26H,7-8,11,14H2,1-3H3,(H,27,28);10-15,18,24H,6-9,16-17H2,1-5H3,(H,25,26);5-6,9-10,12-13,23H,7-8,11,14H2,1-4H3,(H,24,25);4-5,8-9,11-12,14,23H,6-7,10,13H2,1-3H3,(H,24,25);4-6,9-13,16,22H,7-8,14-15H2,1-3H3,(H,23,24);7-9,12-13,21H,5-6,10-11H2,1-4H3,(H,22,25)/b;15-12+;;;;
InChIKeyKDQSSLKDMXZJDV-LPGBOTQVSA-N
MW2637.65 g/mol
LogP25.07
Rot. Bonds53

About N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate

N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate (PubChem CID 159104111) has the molecular formula C130H173BrClN15O24S6 and a molecular weight of 2637.65 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate
PubChem CID159104111
Molecular FormulaC130H173BrClN15O24S6
Molecular Weight2637.65 g/mol
Exact Mass2634.00
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(C#N)c2ccccc2)c(Cl)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(Oc2ccccc2)c1.CCC(C)COC(=O)/C=C/c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2oc3ccccc3c12.Cn1cc(Br)c(-c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)n1
InChIInChI=1S/C23H28ClN3O3S.C23H36N2O5S.C22H28N2O5S.C22H26N2O4S.C21H28N2O4S.C19H27BrN4O3S/c1-23(2,3)31(29,30)26-14-8-7-11-22(28)27-18-12-13-19(21(24)15-18)20(16-25)17-9-5-4-6-10-17;1-6-18(2)17-30-22(27)15-12-19-10-13-20(14-11-19)25-21(26)9-7-8-16-24-31(28,29)23(3,4)5;1-22(2,3)30(26,27)23-14-8-7-11-19(25)24-16-12-13-18-20(21(16)28-4)15-9-5-6-10-17(15)29-18;1-22(2,3)29(27,28)23-13-7-6-10-20(25)24-15-11-12-17-16-8-4-5-9-18(16)21(26)19(17)14-15;1-21(2,3)28(25,26)22-15-8-7-14-20(24)23-17-10-9-13-19(16-17)27-18-11-5-4-6-12-18;1-19(2,3)28(26,27)21-11-6-5-10-17(25)22-15-9-7-8-14(12-15)18-16(20)13-24(4)23-18/h4-6,9-10,12-13,15,20,26H,7-8,11,14H2,1-3H3,(H,27,28);10-15,18,24H,6-9,16-17H2,1-5H3,(H,25,26);5-6,9-10,12-13,23H,7-8,11,14H2,1-4H3,(H,24,25);4-5,8-9,11-12,14,23H,6-7,10,13H2,1-3H3,(H,24,25);4-6,9-13,16,22H,7-8,14-15H2,1-3H3,(H,23,24);7-9,12-13,21H,5-6,10-11H2,1-4H3,(H,22,25)/b;15-12+;;;;
InChIKeyKDQSSLKDMXZJDV-LPGBOTQVSA-N
XLogP25.07
TPSA568.20 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds53
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.65
LogP ≤ 525.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate (CID 159104111) is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(C#N)c2ccccc2)c(Cl)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(Oc2ccccc2)c1.CCC(C)COC(=O)/C=C/c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2oc3ccccc3c12.Cn1cc(Br)c(-c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)n1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate?
The InChIKey is KDQSSLKDMXZJDV-LPGBOTQVSA-N. The full InChI is InChI=1S/C23H28ClN3O3S.C23H36N2O5S.C22H28N2O5S.C22H26N2O4S.C21H28N2O4S.C19H27BrN4O3S/c1-23(2,3)31(29,30)26-14-8-7-11-22(28)27-18-12-13-19(21(24)15-18)20(16-25)17-9-5-4-6-10-17;1-6-18(2)17-30-22(27)15-12-19-10-13-20(14-11-19)25-21(26)9-7-8-16-24-31(28,29)23(3,4)5;1-22(2,3)30(26,27)23-14-8-7-11-19(25)24-16-12-13-18-20(21(16)28-4)15-9-5-6-10-17(15)29-18;1-22(2,3)29(27,28)23-13-7-6-10-20(25)24-15-11-12-17-16-8-4-5-9-18(16)21(26)19(17)14-15;1-21(2,3)28(25,26)22-15-8-7-14-20(24)23-17-10-9-13-19(16-17)27-18-11-5-4-6-12-18;1-19(2,3)28(26,27)21-11-6-5-10-17(25)22-15-9-7-8-14(12-15)18-16(20)13-24(4)23-18/h4-6,9-10,12-13,15,20,26H,7-8,11,14H2,1-3H3,(H,27,28);10-15,18,24H,6-9,16-17H2,1-5H3,(H,25,26);5-6,9-10,12-13,23H,7-8,11,14H2,1-4H3,(H,24,25);4-5,8-9,11-12,14,23H,6-7,10,13H2,1-3H3,(H,24,25);4-6,9-13,16,22H,7-8,14-15H2,1-3H3,(H,23,24);7-9,12-13,21H,5-6,10-11H2,1-4H3,(H,22,25)/b;15-12+;;;;.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate?
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate has a molecular weight of 2637.65 g/mol, XLogP of 25.07, 53 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1-methoxydibenzofuran-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(9-oxofluoren-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-phenoxyphenyl)pentanamide;2-methylbutyl (E)-3-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]prop-2-enoate is sourced from PubChem (CID 159104111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).