2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

C19H23ClN2O3S — CID 133199988

IUPAC2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-14-6-8-15(9-7-14)13(2)21-19(23)17-11-10-16(12-18(17)20)22(3)26(4,24)25/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeyAERXIEYFVCVUDJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.79
Rot. Bonds6

About 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 133199988) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID133199988
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-14-6-8-15(9-7-14)13(2)21-19(23)17-11-10-16(12-18(17)20)22(3)26(4,24)25/h6-13H,5H2,1-4H3,(H,21,23)
InChIKeyAERXIEYFVCVUDJ-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100758583
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132660080
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 133228988
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
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
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100767114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 133199988) is 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is CCc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is AERXIEYFVCVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-14-6-8-15(9-7-14)13(2)21-19(23)17-11-10-16(12-18(17)20)22(3)26(4,24)25/h6-13H,5H2,1-4H3,(H,21,23).
What are the key properties of 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 133199988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).