N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide

C155H163N25O11S — CID 160867746

IUPACN-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccc(C2=NCc3ccccc32)cc1.CC(=O)NCCCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C24H24N4O2S.C21H24N4O2.C20H20N2O2.5C18H19N3O/c1-2-3-12-25-24(30)17-8-6-16(7-9-17)23-20-14-18(10-11-21(20)27-28-23)26-22(29)15-19-5-4-13-31-19;1-15(26)22-13-5-2-6-14-23-21(27)17-11-9-16(10-12-17)20-18-7-3-4-8-19(18)24-25-20;1-14(23)5-4-12-21-20(24)16-10-8-15(9-11-16)19-18-7-3-2-6-17(18)13-22-19;5*1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)20-21-17/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,30)(H,26,29)(H,27,28);3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,25);2-3,6-11H,4-5,12-13H2,1H3,(H,21,24);5*4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21)
InChIKeySLIVAFOOTPLDHQ-UHFFFAOYSA-N
MW2584.24 g/mol
LogP30.20
Rot. Bonds47

About N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide

N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide (PubChem CID 160867746) has the molecular formula C155H163N25O11S and a molecular weight of 2584.24 g/mol. Its IUPAC name is N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide.

Molecular Properties

Compound NameN-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide
PubChem CID160867746
Molecular FormulaC155H163N25O11S
Molecular Weight2584.24 g/mol
Exact Mass2582.27
IUPAC NameN-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide
SMILESCC(=O)CCCNC(=O)c1ccc(C2=NCc3ccccc32)cc1.CC(=O)NCCCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C24H24N4O2S.C21H24N4O2.C20H20N2O2.5C18H19N3O/c1-2-3-12-25-24(30)17-8-6-16(7-9-17)23-20-14-18(10-11-21(20)27-28-23)26-22(29)15-19-5-4-13-31-19;1-15(26)22-13-5-2-6-14-23-21(27)17-11-9-16(10-12-17)20-18-7-3-4-8-19(18)24-25-20;1-14(23)5-4-12-21-20(24)16-10-8-15(9-11-16)19-18-7-3-2-6-17(18)13-22-19;5*1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)20-21-17/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,30)(H,26,29)(H,27,28);3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,25);2-3,6-11H,4-5,12-13H2,1H3,(H,21,24);5*4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21)
InChIKeySLIVAFOOTPLDHQ-UHFFFAOYSA-N
XLogP30.20
TPSA521.19 Ų
H-Bond Donors17
H-Bond Acceptors20
Rotatable Bonds47
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.24
LogP ≤ 530.20
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide?
The IUPAC name of N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide (CID 160867746) is N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide.
What is the SMILES notation for N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide?
The canonical SMILES for N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide is CC(=O)CCCNC(=O)c1ccc(C2=NCc3ccccc32)cc1.CC(=O)NCCCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4cccs4)cc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.CCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide?
The InChIKey is SLIVAFOOTPLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S.C21H24N4O2.C20H20N2O2.5C18H19N3O/c1-2-3-12-25-24(30)17-8-6-16(7-9-17)23-20-14-18(10-11-21(20)27-28-23)26-22(29)15-19-5-4-13-31-19;1-15(26)22-13-5-2-6-14-23-21(27)17-11-9-16(10-12-17)20-18-7-3-4-8-19(18)24-25-20;1-14(23)5-4-12-21-20(24)16-10-8-15(9-11-16)19-18-7-3-2-6-17(18)13-22-19;5*1-2-3-12-19-18(22)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)20-21-17/h4-11,13-14H,2-3,12,15H2,1H3,(H,25,30)(H,26,29)(H,27,28);3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)(H,23,27)(H,24,25);2-3,6-11H,4-5,12-13H2,1H3,(H,21,24);5*4-11H,2-3,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide?
N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide has a molecular weight of 2584.24 g/mol, XLogP of 30.20, 47 rotatable bonds, 17 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidopentyl)-4-(1H-indazol-3-yl)benzamide;pentakis(N-butyl-4-(1H-indazol-3-yl)benzamide);N-butyl-4-[5-[(2-thiophen-2-ylacetyl)amino]-1H-indazol-3-yl]benzamide;4-(3H-isoindol-1-yl)-N-(4-oxopentyl)benzamide is sourced from PubChem (CID 160867746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).