N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

C21H20N2O4S — CID 19630614

IUPACN-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-17-9-5-15(6-10-17)22-20(24)14-28-18-11-7-16(8-12-18)23-21(25)19-4-3-13-27-19/h3-13H,2,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyMSWCPHBXYRNFTA-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.66
Rot. Bonds8

About N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide

N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 19630614) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID19630614
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-17-9-5-15(6-10-17)22-20(24)14-28-18-11-7-16(8-12-18)23-21(25)19-4-3-13-27-19/h3-13H,2,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyMSWCPHBXYRNFTA-UHFFFAOYSA-N
XLogP4.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide 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

N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
N-[[4-(4-bromophenyl)-5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 44911769

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide (CID 19630614) is N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is CCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is MSWCPHBXYRNFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-17-9-5-15(6-10-17)22-20(24)14-28-18-11-7-16(8-12-18)23-21(25)19-4-3-13-27-19/h3-13H,2,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide?
N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 19630614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).