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

C19H23ClN2O3S — CID 132660080

IUPAC2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-12-6-8-16(13(2)10-12)14(3)21-19(23)17-9-7-15(11-18(17)20)22(4)26(5,24)25/h6-11,14H,1-5H3,(H,21,23)
InChIKeyGTDBDBNQJKPVHI-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.84
Rot. Bonds5

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

2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 132660080) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID132660080
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-12-6-8-16(13(2)10-12)14(3)21-19(23)17-9-7-15(11-18(17)20)22(4)26(5,24)25/h6-11,14H,1-5H3,(H,21,23)
InChIKeyGTDBDBNQJKPVHI-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-ethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133199988
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
2-chloro-N-(2,6-dimethylphenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 50944504
2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
CID 100677066
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 43886596
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 125042187
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 43885797
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 132660080) is 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is GTDBDBNQJKPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-12-6-8-16(13(2)10-12)14(3)21-19(23)17-9-7-15(11-18(17)20)22(4)26(5,24)25/h6-11,14H,1-5H3,(H,21,23).
What are the key properties of 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 132660080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).