2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide

C21H27ClN2O3S — CID 133249802

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)17(5)23-21(25)13-24(19-9-6-15(3)16(4)12-19)28(26,27)20-10-7-18(22)8-11-20/h6-12,14,17H,13H2,1-5H3,(H,23,25)
InChIKeyPETJXFZIIIRWMO-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.31
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 133249802) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID133249802
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C21H27ClN2O3S/c1-14(2)17(5)23-21(25)13-24(19-9-6-15(3)16(4)12-19)28(26,27)20-10-7-18(22)8-11-20/h6-12,14,17H,13H2,1-5H3,(H,23,25)
InChIKeyPETJXFZIIIRWMO-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-propan-2-ylacetamide
CID 126142567
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133244931
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutyl)acetamide
CID 21372573
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
CID 126143705
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133241754
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43906032
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 2198538
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
N-[(2S)-3-methylbutan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 100562767
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-ethoxypropyl)acetamide
CID 126189051
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126125543

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide (CID 133249802) is 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide is Cc1ccc(N(CC(=O)NC(C)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PETJXFZIIIRWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-14(2)17(5)23-21(25)13-24(19-9-6-15(3)16(4)12-19)28(26,27)20-10-7-18(22)8-11-20/h6-12,14,17H,13H2,1-5H3,(H,23,25).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 422.98 g/mol, XLogP of 4.31, 7 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 133249802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).