2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

C25H27ClN2O3S — CID 133160802

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-20-10-12-21(13-11-20)19(3)27-25(29)17-28(23-7-5-6-22(26)16-23)32(30,31)24-14-8-18(2)9-15-24/h5-16,19H,4,17H2,1-3H3,(H,27,29)
InChIKeyFGILJFISRYNKCG-UHFFFAOYSA-N
MW471.02 g/mol
LogP5.28
Rot. Bonds8

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 133160802) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID133160802
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-20-10-12-21(13-11-20)19(3)27-25(29)17-28(23-7-5-6-22(26)16-23)32(30,31)24-14-8-18(2)9-15-24/h5-16,19H,4,17H2,1-3H3,(H,27,29)
InChIKeyFGILJFISRYNKCG-UHFFFAOYSA-N
XLogP5.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30396613
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30306959
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084381
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133187724
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 124662515
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43894026
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43901799
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 133160802) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is FGILJFISRYNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-4-20-10-12-21(13-11-20)19(3)27-25(29)17-28(23-7-5-6-22(26)16-23)32(30,31)24-14-8-18(2)9-15-24/h5-16,19H,4,17H2,1-3H3,(H,27,29).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 133160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).