2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide

C17H20N2O4S — CID 3139093

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(14-8-7-9-15(12-14)23-2)24(21,22)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyORJZRWHKUVWICT-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.03
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide (PubChem CID 3139093) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
PubChem CID3139093
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(14-8-7-9-15(12-14)23-2)24(21,22)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyORJZRWHKUVWICT-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
CID 2274017
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53279043
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-benzylamino]-N-ethylbutanamide
CID 132683552
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304253
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202029
2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132688507

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide (CID 3139093) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide is CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide?
The InChIKey is ORJZRWHKUVWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(14-8-7-9-15(12-14)23-2)24(21,22)16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide is sourced from PubChem (CID 3139093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).