2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide

C20H19ClN2O5S — CID 1004854

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H19ClN2O5S/c1-27-19-10-9-15(12-18(19)21)23(29(25,26)17-7-3-2-4-8-17)14-20(24)22-13-16-6-5-11-28-16/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeySVJGBXZCALLMNL-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.45
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1004854) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1004854
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H19ClN2O5S/c1-27-19-10-9-15(12-18(19)21)23(29(25,26)17-7-3-2-4-8-17)14-20(24)22-13-16-6-5-11-28-16/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeySVJGBXZCALLMNL-UHFFFAOYSA-N
XLogP3.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-propylacetamide
CID 53279027
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-butylacetamide
CID 53279028
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 1129943
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-tert-butylacetamide
CID 3111589
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767534
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2284373
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
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 1318703

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide (CID 1004854) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SVJGBXZCALLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-27-19-10-9-15(12-18(19)21)23(29(25,26)17-7-3-2-4-8-17)14-20(24)22-13-16-6-5-11-28-16/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 434.90 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1004854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).