2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide

C20H25ClN2O3S — CID 30219832

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C20H25ClN2O3S/c1-5-19(18-11-6-14(2)12-15(18)3)22-20(24)13-23(27(4,25)26)17-9-7-16(21)8-10-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyFKHCVFYGLPKIKT-LJQANCHMSA-N
MW408.95 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 30219832) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID30219832
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C20H25ClN2O3S/c1-5-19(18-11-6-14(2)12-15(18)3)22-20(24)13-23(27(4,25)26)17-9-7-16(21)8-10-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyFKHCVFYGLPKIKT-LJQANCHMSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242549
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30254324
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43896089
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30244091
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
CID 30225236
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28564236
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (CID 30219832) is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is FKHCVFYGLPKIKT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-19(18-11-6-14(2)12-15(18)3)22-20(24)13-23(27(4,25)26)17-9-7-16(21)8-10-17/h6-12,19H,5,13H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 30219832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).