2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide

C22H22N2O3S — CID 27782394

IUPAC2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-8-13-20(28(23,26)27)14-21(15)22(25)24-16(2)17-9-11-19(12-10-17)18-6-4-3-5-7-18/h3-14,16H,1-2H3,(H,24,25)(H2,23,26,27)/t16-/m1/s1
InChIKeyGAPWOLOJPQIXQS-MRXNPFEDSA-N
MW394.50 g/mol
LogP3.80
Rot. Bonds5

About 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide

2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide (PubChem CID 27782394) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
PubChem CID27782394
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-15-8-13-20(28(23,26)27)14-21(15)22(25)24-16(2)17-9-11-19(12-10-17)18-6-4-3-5-7-18/h3-14,16H,1-2H3,(H,24,25)(H2,23,26,27)/t16-/m1/s1
InChIKeyGAPWOLOJPQIXQS-MRXNPFEDSA-N
XLogP3.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
2-methyl-5-sulfamoyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886555
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-[(4-ethoxyphenyl)-phenylmethyl]-2-methyl-5-sulfamoylbenzamide
CID 46433416
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide (CID 27782394) is 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is GAPWOLOJPQIXQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-15-8-13-20(28(23,26)27)14-21(15)22(25)24-16(2)17-9-11-19(12-10-17)18-6-4-3-5-7-18/h3-14,16H,1-2H3,(H,24,25)(H2,23,26,27)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide?
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 27782394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).