2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide

C19H24N2O4S — CID 22304181

IUPAC2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
SMILESCOc1cccc(NCC(=O)NC(C)(C)C)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)21-17(22)13-20-15-11-8-12-16(25-4)18(15)26(23,24)14-9-6-5-7-10-14/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyNVEVHGNWYJFTJQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide

2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide (PubChem CID 22304181) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
PubChem CID22304181
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
SMILESCOc1cccc(NCC(=O)NC(C)(C)C)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-19(2,3)21-17(22)13-20-15-11-8-12-16(25-4)18(15)26(23,24)14-9-6-5-7-10-14/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyNVEVHGNWYJFTJQ-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
CID 22305132
2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
CID 22303972
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 22307389
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22304597
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide (CID 22304181) is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide is COc1cccc(NCC(=O)NC(C)(C)C)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide?
The InChIKey is NVEVHGNWYJFTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-19(2,3)21-17(22)13-20-15-11-8-12-16(25-4)18(15)26(23,24)14-9-6-5-7-10-14/h5-12,20H,13H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide?
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.85, 6 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-tert-butylacetamide is sourced from PubChem (CID 22304181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).