4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide

C25H25N5O4S — CID 59951186

IUPAC4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H25N5O4S/c1-35(33,34)28-16-4-15-27-25(32)19-9-7-17(8-10-19)23-21-5-2-3-6-22(21)30(29-23)20-13-11-18(12-14-20)24(26)31/h2-3,5-14,28H,4,15-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyKLZUYXCTMHQOEB-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.46
Rot. Bonds9

About 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide

4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide (PubChem CID 59951186) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide.

Molecular Properties

Compound Name4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide
PubChem CID59951186
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C25H25N5O4S/c1-35(33,34)28-16-4-15-27-25(32)19-9-7-17(8-10-19)23-21-5-2-3-6-22(21)30(29-23)20-13-11-18(12-14-20)24(26)31/h2-3,5-14,28H,4,15-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyKLZUYXCTMHQOEB-UHFFFAOYSA-N
XLogP2.46
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid diethylamide
CID 18914272
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-di(propan-2-yl)-1H-indole-5-carboxamide
CID 44292977
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
CID 138756830
2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N,N-bis(2-methylpropyl)-1H-indole-5-carboxamide
CID 10258643
N-tert-butyl-2-(3,5-dimethylphenyl)-N-ethyl-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-1H-indole-5-carboxamide
CID 44292874
N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide
CID 44292988
N-(1-(2-((N-Methylsulfonyl)amino)ethyl)piperidin-4-yl)-1-isopropylindazole-3-carboxamide Maleate
CID 9909343
3-carbamimidoyl-N-(3-ethyl-1-phenylindazol-6-yl)benzamide
CID 56670166
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022
N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide
CID 155926647
N-isopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826947

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide?
The IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide (CID 59951186) is 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide.
What is the SMILES notation for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide?
The canonical SMILES for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide is CS(=O)(=O)NCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide?
The InChIKey is KLZUYXCTMHQOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-35(33,34)28-16-4-15-27-25(32)19-9-7-17(8-10-19)23-21-5-2-3-6-22(21)30(29-23)20-13-11-18(12-14-20)24(26)31/h2-3,5-14,28H,4,15-16H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide?
4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide has a molecular weight of 491.57 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide is sourced from PubChem (CID 59951186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).