3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide

C24H23N3O4S — CID 100613262

IUPAC3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCOc1ccc2nc([C@@H](C)NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C24H23N3O4S/c1-16(23-26-21-12-11-19(31-2)14-22(21)27-23)25-24(28)18-8-6-7-17(13-18)15-32(29,30)20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyRMVNPFVDPRSWSZ-MRXNPFEDSA-N
MW449.53 g/mol
LogP4.04
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide

3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide (PubChem CID 100613262) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
PubChem CID100613262
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
SMILESCOc1ccc2nc([C@@H](C)NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C24H23N3O4S/c1-16(23-26-21-12-11-19(31-2)14-22(21)27-23)25-24(28)18-8-6-7-17(13-18)15-32(29,30)20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyRMVNPFVDPRSWSZ-MRXNPFEDSA-N
XLogP4.04
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
benzyl N-[(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropyl]carbamate
CID 42632051
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(methylsulfonylmethyl)benzamide
CID 55812354
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[benzyl(methyl)sulfamoyl]-4-methoxybenzamide
CID 55380926
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(methylsulfonylmethyl)benzamide
CID 46561468
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide (CID 100613262) is 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide is COc1ccc2nc([C@@H](C)NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
The InChIKey is RMVNPFVDPRSWSZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16(23-26-21-12-11-19(31-2)14-22(21)27-23)25-24(28)18-8-6-7-17(13-18)15-32(29,30)20-9-4-3-5-10-20/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1.
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide?
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 100613262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).