2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C20H25ClN2O3S — CID 100766704

IUPAC2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-5-16-6-8-17(9-7-16)15(3)22-20(24)13-23(27(4,25)26)19-11-10-18(21)12-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeySYHNFIWOXGJSBB-OAHLLOKOSA-N
MW408.95 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 100766704) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID100766704
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-5-16-6-8-17(9-7-16)15(3)22-20(24)13-23(27(4,25)26)19-11-10-18(21)12-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeySYHNFIWOXGJSBB-OAHLLOKOSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100695625
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43892979
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 100766704) is 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is SYHNFIWOXGJSBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-16-6-8-17(9-7-16)15(3)22-20(24)13-23(27(4,25)26)19-11-10-18(21)12-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 100766704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).