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

C19H24N2O5S — CID 3139074

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-14(2)20-19(22)13-21(27(23,24)16-8-6-5-7-9-16)17-11-10-15(25-3)12-18(17)26-4/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyDUMRSBYZDKAIOT-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.42
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide (PubChem CID 3139074) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
PubChem CID3139074
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-14(2)20-19(22)13-21(27(23,24)16-8-6-5-7-9-16)17-11-10-15(25-3)12-18(17)26-4/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyDUMRSBYZDKAIOT-UHFFFAOYSA-N
XLogP2.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501
2-[[2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]acetyl]amino]-N-[(2S)-butan-2-yl]benzamide
CID 126118710
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2890006
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-phenoxyethyl)acetamide
CID 5234428
2-[[2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126144509
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 999354
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6303075
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100749746

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide (CID 3139074) is 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide is COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide?
The InChIKey is DUMRSBYZDKAIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(2)20-19(22)13-21(27(23,24)16-8-6-5-7-9-16)17-11-10-15(25-3)12-18(17)26-4/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide?
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide has a molecular weight of 392.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 3139074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).