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

C18H20N2O4S — CID 22300627

IUPAC2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
SMILESCOc1cccc(NCC(=O)NC2CC2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-9-5-8-15(19-12-17(21)20-13-10-11-13)18(16)25(22,23)14-6-3-2-4-7-14/h2-9,13,19H,10-12H2,1H3,(H,20,21)
InChIKeyBRSVDSOQYBWSQW-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.22
Rot. Bonds7

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

2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide (PubChem CID 22300627) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
PubChem CID22300627
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
SMILESCOc1cccc(NCC(=O)NC2CC2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-9-5-8-15(19-12-17(21)20-13-10-11-13)18(16)25(22,23)14-6-3-2-4-7-14/h2-9,13,19H,10-12H2,1H3,(H,20,21)
InChIKeyBRSVDSOQYBWSQW-UHFFFAOYSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304403
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
CID 22305132
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide (CID 22300627) is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide is COc1cccc(NCC(=O)NC2CC2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide?
The InChIKey is BRSVDSOQYBWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-9-5-8-15(19-12-17(21)20-13-10-11-13)18(16)25(22,23)14-6-3-2-4-7-14/h2-9,13,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide?
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide has a molecular weight of 360.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide is sourced from PubChem (CID 22300627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).