2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide

C25H27ClN2O4S — CID 28569053

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-4-32-22-13-9-20(10-14-22)19(3)27-25(29)17-28(24-8-6-5-7-18(24)2)33(30,31)23-15-11-21(26)12-16-23/h5-16,19H,4,17H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyDTXWDMBFXMRWEB-IBGZPJMESA-N
MW487.02 g/mol
LogP5.12
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 28569053) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID28569053
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H27ClN2O4S/c1-4-32-22-13-9-20(10-14-22)19(3)27-25(29)17-28(24-8-6-5-7-18(24)2)33(30,31)23-15-11-21(26)12-16-23/h5-16,19H,4,17H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyDTXWDMBFXMRWEB-IBGZPJMESA-N
XLogP5.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92677634
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30251011
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99949202
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30307273
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43892979
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902340
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631808
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-propan-2-ylacetamide
CID 3130619

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide (CID 28569053) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is DTXWDMBFXMRWEB-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-4-32-22-13-9-20(10-14-22)19(3)27-25(29)17-28(24-8-6-5-7-18(24)2)33(30,31)23-15-11-21(26)12-16-23/h5-16,19H,4,17H2,1-3H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28569053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).