4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane

C114H134N18O15S3 — CID 161079504

About 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane

4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane (PubChem CID 161079504) has the molecular formula C114H134N18O15S3 and a molecular weight of 2092.64 g/mol. Its IUPAC name is 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane.

Molecular Properties

• Compound Name: 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane
• PubChem CID: 161079504
• Molecular Formula: C114H134N18O15S3
• Molecular Weight: 2092.64 g/mol
• Exact Mass: 2090.94
• IUPAC Name: 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane
• SMILES: C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)N[C@@H](CCCCNC(=O)CCCCC4SCC5NC(=O)NC54)C(=O)O)cc3)c3ccccc23)cc1.CCC.CCC.CCC.Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccc(-c3nn(-c4ccc(C(N)=O)cc4)c4ccccc34)cc2)cc1.NC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCNC(=O)CCCCC4SCC5NC(=O)NC54)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C40H44N6O7S.C34H37N7O4S.C31H29N5O4S.3C3H8/c1-2-23-53-39(51)27-16-14-25(15-17-27)35-29-9-3-4-11-32(29)46(45-35)28-20-18-26(19-21-28)37(48)42-30(38(49)50)10-7-8-22-41-34(47)13-6-5-12-33-36-31(24-54-33)43-40(52)44-36;35-32(43)22-14-16-24(17-15-22)41-27-7-2-1-6-25(27)30(40-41)21-10-12-23(13-11-21)33(44)37-19-5-18-36-29(42)9-4-3-8-28-31-26(20-46-28)38-34(45)39-31;1-21-7-17-26(18-8-21)41(39,40)34-20-4-19-33-31(38)24-11-9-22(10-12-24)29-27-5-2-3-6-28(27)36(35-29)25-15-13-23(14-16-25)30(32)37;3*1-3-2/h2-4,9,11,14-21,30-31,33,36H,1,5-8,10,12-13,22-24H2,(H,41,47)(H,42,48)(H,49,50)(H2,43,44,52);1-2,6-7,10-17,26,28,31H,3-5,8-9,18-20H2,(H2,35,43)(H,36,42)(H,37,44)(H2,38,39,45);2-3,5-18,34H,4,19-20H2,1H3,(H2,32,37)(H,33,38);3*3H2,1-2H3/t30-,31?,33?,36?;;;;;/m0...../s1
• InChIKey: UFSLXCUVRSNNOP-QBVFAKMTSA-N
• XLogP: 17.43
• TPSA: 477.17 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 41
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.64
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'biotin_analogue', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane?

The IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane (CID 161079504) is 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane.

What is the SMILES notation for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane?

The canonical SMILES for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane is C=CCOC(=O)c1ccc(-c2nn(-c3ccc(C(=O)N[C@@H](CCCCNC(=O)CCCCC4SCC5NC(=O)NC54)C(=O)O)cc3)c3ccccc23)cc1.CCC.CCC.CCC.Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccc(-c3nn(-c4ccc(C(N)=O)cc4)c4ccccc34)cc2)cc1.NC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCNC(=O)CCCCC4SCC5NC(=O)NC54)cc3)c3ccccc32)cc1.

What is the InChIKey of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane?

The InChIKey is UFSLXCUVRSNNOP-QBVFAKMTSA-N. The full InChI is InChI=1S/C40H44N6O7S.C34H37N7O4S.C31H29N5O4S.3C3H8/c1-2-23-53-39(51)27-16-14-25(15-17-27)35-29-9-3-4-11-32(29)46(45-35)28-20-18-26(19-21-28)37(48)42-30(38(49)50)10-7-8-22-41-34(47)13-6-5-12-33-36-31(24-54-33)43-40(52)44-36;35-32(43)22-14-16-24(17-15-22)41-27-7-2-1-6-25(27)30(40-41)21-10-12-23(13-11-21)33(44)37-19-5-18-36-29(42)9-4-3-8-28-31-26(20-46-28)38-34(45)39-31;1-21-7-17-26(18-8-21)41(39,40)34-20-4-19-33-31(38)24-11-9-22(10-12-24)29-27-5-2-3-6-28(27)36(35-29)25-15-13-23(14-16-25)30(32)37;3*1-3-2/h2-4,9,11,14-21,30-31,33,36H,1,5-8,10,12-13,22-24H2,(H,41,47)(H,42,48)(H,49,50)(H2,43,44,52);1-2,6-7,10-17,26,28,31H,3-5,8-9,18-20H2,(H2,35,43)(H,36,42)(H,37,44)(H2,38,39,45);2-3,5-18,34H,4,19-20H2,1H3,(H2,32,37)(H,33,38);3*3H2,1-2H3/t30-,31?,33?,36?;;;;;/m0...../s1.

What are the key properties of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane?

4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane has a molecular weight of 2092.64 g/mol, XLogP of 17.43, 41 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propyl]benzamide;(2S)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]-2-[[4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoyl]amino]hexanoic acid;propane is sourced from PubChem (CID 161079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).