2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C19H23ClN2O3S — CID 30219526

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-9-10-14(2)16(11-13)15(3)21-19(23)12-22(26(4,24)25)18-8-6-5-7-17(18)20/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyXARVFOUEAJWPFT-HNNXBMFYSA-N
MW394.92 g/mol
LogP3.60
Rot. Bonds6

About 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 30219526) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID30219526
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C19H23ClN2O3S/c1-13-9-10-14(2)16(11-13)15(3)21-19(23)12-22(26(4,24)25)18-8-6-5-7-17(18)20/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyXARVFOUEAJWPFT-HNNXBMFYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30222782
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43896298
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30226260
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43894902
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217751
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28578106
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99132553
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30274731
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897328
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125084919

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 30219526) is 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is XARVFOUEAJWPFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-9-10-14(2)16(11-13)15(3)21-19(23)12-22(26(4,24)25)18-8-6-5-7-17(18)20/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30219526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).