2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide

C19H24N2O3S — CID 51345236

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-11-10-15(3)16(4)12-17)25(23,24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyCQKZCXBPEJFSMI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.02
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide (PubChem CID 51345236) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
PubChem CID51345236
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-11-10-15(3)16(4)12-17)25(23,24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyCQKZCXBPEJFSMI-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.02
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-methylanilino]-N-propan-2-ylacetamide
CID 2248872
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30306205
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43891929
(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125053684
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133160554

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide (CID 51345236) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide is Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide?
The InChIKey is CQKZCXBPEJFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-11-10-15(3)16(4)12-17)25(23,24)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 51345236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).