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

C18H21ClN2O4S — CID 53279027

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-11-20-18(22)13-21(14-9-10-17(25-2)16(19)12-14)26(23,24)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22)
InChIKeyCQSFVFMKCRVNLL-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.07
Rot. Bonds8

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

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide (PubChem CID 53279027) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
PubChem CID53279027
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-11-20-18(22)13-21(14-9-10-17(25-2)16(19)12-14)26(23,24)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22)
InChIKeyCQSFVFMKCRVNLL-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126126940
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
(2S)-2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetyl]-benzylamino]-N-propylbutanamide
CID 100537672
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30208402
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 126033274
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]-N-(furan-2-ylmethyl)acetamide
CID 1004854
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide (CID 53279027) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide is CCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide?
The InChIKey is CQSFVFMKCRVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-11-20-18(22)13-21(14-9-10-17(25-2)16(19)12-14)26(23,24)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide has a molecular weight of 396.90 g/mol, XLogP of 3.07, 8 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-propylacetamide is sourced from PubChem (CID 53279027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).