4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

C24H24N4O4S — CID 55806112

IUPAC4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H24N4O4S/c1-16(2)27-33(30,31)22-15-17(13-14-21(22)32-3)23(29)26-24-25-19-11-7-8-12-20(19)28(24)18-9-5-4-6-10-18/h4-16,27H,1-3H3,(H,25,26,29)
InChIKeyYTTVJKQXCANDIA-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.97
Rot. Bonds7

About 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55806112) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55806112
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C24H24N4O4S/c1-16(2)27-33(30,31)22-15-17(13-14-21(22)32-3)23(29)26-24-25-19-11-7-8-12-20(19)28(24)18-9-5-4-6-10-18/h4-16,27H,1-3H3,(H,25,26,29)
InChIKeyYTTVJKQXCANDIA-UHFFFAOYSA-N
XLogP3.97
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
N-(1-phenylbenzimidazol-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 55855168
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide (CID 55806112) is 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2nc3ccccc3n2-c2ccccc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YTTVJKQXCANDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16(2)27-33(30,31)22-15-17(13-14-21(22)32-3)23(29)26-24-25-19-11-7-8-12-20(19)28(24)18-9-5-4-6-10-18/h4-16,27H,1-3H3,(H,25,26,29).
What are the key properties of 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 464.55 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55806112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).