4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide

C22H22N2O3S — CID 92678214

IUPAC4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-16-8-6-7-11-20(16)21(17-9-4-3-5-10-17)23-22(25)18-12-14-19(15-13-18)24-28(2,26)27/h3-15,21,24H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyMWBQKGCHKJFEET-NRFANRHFSA-N
MW394.50 g/mol
LogP3.89
Rot. Bonds6

About 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide

4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 92678214) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID92678214
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-16-8-6-7-11-20(16)21(17-9-4-3-5-10-17)23-22(25)18-12-14-19(15-13-18)24-28(2,26)27/h3-15,21,24H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyMWBQKGCHKJFEET-NRFANRHFSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
N-[(R)-(2-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 93487464
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94026927
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 92684176
4-(benzenesulfonamido)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide
CID 132666924

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (CID 92678214) is 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is MWBQKGCHKJFEET-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-8-6-7-11-20(16)21(17-9-4-3-5-10-17)23-22(25)18-12-14-19(15-13-18)24-28(2,26)27/h3-15,21,24H,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 92678214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).