2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide

C18H21ClN2O3S — CID 126143705

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-20-18(22)12-21(16-8-5-13(2)14(3)11-16)25(23,24)17-9-6-15(19)7-10-17/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyXCMGJPNSOKFFIX-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.29
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide (PubChem CID 126143705) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
PubChem CID126143705
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-20-18(22)12-21(16-8-5-13(2)14(3)11-16)25(23,24)17-9-6-15(19)7-10-17/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyXCMGJPNSOKFFIX-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-propan-2-ylacetamide
CID 126142567
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1006683
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249802
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 2198538
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126125543
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126190406
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126135336
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide (CID 126143705) is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide is CCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide?
The InChIKey is XCMGJPNSOKFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-20-18(22)12-21(16-8-5-13(2)14(3)11-16)25(23,24)17-9-6-15(19)7-10-17/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide?
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide has a molecular weight of 380.90 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide is sourced from PubChem (CID 126143705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).