2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide

C24H28N2O5S2 — CID 53279122

IUPAC2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccco2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-19(9-11-21)26(33(28,29)23-14-12-22(32-2)13-15-23)18-24(27)25-16-4-6-20-7-5-17-31-20/h5,7-15,17H,3-4,6,16,18H2,1-2H3,(H,25,27)
InChIKeyDIWSKCNRUYKXCF-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.34
Rot. Bonds12

About 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide

2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide (PubChem CID 53279122) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
PubChem CID53279122
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccco2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-19(9-11-21)26(33(28,29)23-14-12-22(32-2)13-15-23)18-24(27)25-16-4-6-20-7-5-17-31-20/h5,7-15,17H,3-4,6,16,18H2,1-2H3,(H,25,27)
InChIKeyDIWSKCNRUYKXCF-UHFFFAOYSA-N
XLogP4.34
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]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-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 43896762
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1202350
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3584895
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1108097
N-(4-ethoxyphenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylsulfanylbenzenesulfonamide
CID 53278646
N-(3-cyclohexyloxypropyl)-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30227803
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43896767
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43896749
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 2271131
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
N-butan-2-yl-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43891749
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide (CID 53279122) is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide is CCOc1ccc(N(CC(=O)NCCCc2ccco2)S(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide?
The InChIKey is DIWSKCNRUYKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-19(9-11-21)26(33(28,29)23-14-12-22(32-2)13-15-23)18-24(27)25-16-4-6-20-7-5-17-31-20/h5,7-15,17H,3-4,6,16,18H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide?
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide is sourced from PubChem (CID 53279122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).