N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide

C24H24N4O4S — CID 22552086

IUPACN-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-16-9-12-22(32-3)21(13-16)25-23(29)15-28(2)33(30,31)18-10-11-19-20(14-18)27-24(26-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyKEEFTSBWNFUGJT-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.81
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide (PubChem CID 22552086) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
PubChem CID22552086
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-16-9-12-22(32-3)21(13-16)25-23(29)15-28(2)33(30,31)18-10-11-19-20(14-18)27-24(26-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyKEEFTSBWNFUGJT-UHFFFAOYSA-N
XLogP3.81
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 22552039
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818234
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 110772643
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802588

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide (CID 22552086) is N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide is COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The InChIKey is KEEFTSBWNFUGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-9-12-22(32-3)21(13-16)25-23(29)15-28(2)33(30,31)18-10-11-19-20(14-18)27-24(26-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 22552086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).