4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide

C20H26N2O3S — CID 100567468

IUPAC4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-16-7-9-17(10-8-16)15(3)21-20(23)18-11-13-19(14-12-18)22(6-2)26(4,24)25/h7-15H,5-6H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyUVUYOKFSYXRQJJ-OAHLLOKOSA-N
MW374.51 g/mol
LogP3.53
Rot. Bonds7

About 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide

4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 100567468) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
PubChem CID100567468
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-16-7-9-17(10-8-16)15(3)21-20(23)18-11-13-19(14-12-18)22(6-2)26(4,24)25/h7-15H,5-6H2,1-4H3,(H,21,23)/t15-/m1/s1
InChIKeyUVUYOKFSYXRQJJ-OAHLLOKOSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-[(4-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 125060844
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100765407
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 125042955
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133184692

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide (CID 100567468) is 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is UVUYOKFSYXRQJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-16-7-9-17(10-8-16)15(3)21-20(23)18-11-13-19(14-12-18)22(6-2)26(4,24)25/h7-15H,5-6H2,1-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide?
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 100567468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).