N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide

C22H22N2O3S — CID 100621234

IUPACN-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)24-22(25)18-12-8-13-19(15-18)28(26,27)23-2/h3-15,21,23H,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyKKXKGQGNQMCCNN-NRFANRHFSA-N
MW394.50 g/mol
LogP3.42
Rot. Bonds6

About N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide

N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 100621234) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
PubChem CID100621234
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C22H22N2O3S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)24-22(25)18-12-8-13-19(15-18)28(26,27)23-2/h3-15,21,23H,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyKKXKGQGNQMCCNN-NRFANRHFSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92678214
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234
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-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide (CID 100621234) is N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1.
What is the InChIKey of N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is KKXKGQGNQMCCNN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)24-22(25)18-12-8-13-19(15-18)28(26,27)23-2/h3-15,21,23H,1-2H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide?
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100621234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).