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

C22H23ClN2O5S2 — CID 2287019

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H23ClN2O5S2/c1-29-21-10-9-17(14-20(21)23)25(32(27,28)19-7-3-2-4-8-19)15-22(26)24-11-13-31-16-18-6-5-12-30-18/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26)
InChIKeyNPTMAPJUWNRJAE-UHFFFAOYSA-N
MW495.02 g/mol
LogP4.19
Rot. Bonds11

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

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2287019) has the molecular formula C22H23ClN2O5S2 and a molecular weight of 495.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2287019
Molecular FormulaC22H23ClN2O5S2
Molecular Weight495.02 g/mol
Exact Mass494.07
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C22H23ClN2O5S2/c1-29-21-10-9-17(14-20(21)23)25(32(27,28)19-7-3-2-4-8-19)15-22(26)24-11-13-31-16-18-6-5-12-30-18/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26)
InChIKeyNPTMAPJUWNRJAE-UHFFFAOYSA-N
XLogP4.19
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]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-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-[2-(furan-2-ylmethylsulfanyl)-ethyl]-acetamide
CID 3147872
2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-phenyl)-acetamide
CID 3207151
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 1256034
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1148854
N~1~-{2-[(2-furylmethyl)thio]ethyl}-N~2~-(4-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2286635
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2287823
2-[Benzenesulfonyl-(3-methoxy-phenyl)-amino]-N-[2-(furan-2-ylmethylsulfanyl)-ethyl]-acetamide
CID 2287969
N~1~-{2-[(2-furylmethyl)thio]ethyl}-N~2~-phenyl-N~2~-(phenylsulfonyl)glycinamide
CID 2288571
2-[(4E)-1-(3-chloro-4-methoxyphenyl)-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2607822
N~2~-(3,4-dimethoxyphenyl)-N~1~-{2-[(2-furylmethyl)thio]ethyl}-N~2~-(phenylsulfonyl)glycinamide
CID 2914172
N~2~-(2-ethoxyphenyl)-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}-N~2~-(phenylsulfonyl)glycinamide
CID 2914425
N~2~-(4-ethoxyphenyl)-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2915854

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2287019) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is NPTMAPJUWNRJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S2/c1-29-21-10-9-17(14-20(21)23)25(32(27,28)19-7-3-2-4-8-19)15-22(26)24-11-13-31-16-18-6-5-12-30-18/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 495.02 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2287019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).