2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide

C19H23ClN2O4S — CID 3111589

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)21-18(23)13-22(14-10-11-17(26-4)16(20)12-14)27(24,25)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyWKBPMOWDZZLXIT-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.46
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide (PubChem CID 3111589) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
PubChem CID3111589
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
SMILESCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)21-18(23)13-22(14-10-11-17(26-4)16(20)12-14)27(24,25)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,23)
InChIKeyWKBPMOWDZZLXIT-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126121226
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30170290
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-phenylphenyl)acetamide
CID 126123999
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(1-phenylpropyl)acetamide
CID 43902119
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126123779
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-ethoxyphenyl)acetamide
CID 1336528

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide (CID 3111589) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide is COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide?
The InChIKey is WKBPMOWDZZLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-19(2,3)21-18(23)13-22(14-10-11-17(26-4)16(20)12-14)27(24,25)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide has a molecular weight of 410.92 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide is sourced from PubChem (CID 3111589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).