2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide

C23H23N3O4S — CID 24518090

IUPAC2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C23H23N3O4S/c1-17(27)24-19-9-11-21(12-10-19)31-16-23(29)26(14-20-8-5-13-30-20)15-22(28)25-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyTUXRLADIYAKKNS-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.00
Rot. Bonds9

About 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide

2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 24518090) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID24518090
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C23H23N3O4S/c1-17(27)24-19-9-11-21(12-10-19)31-16-23(29)26(14-20-8-5-13-30-20)15-22(28)25-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyTUXRLADIYAKKNS-UHFFFAOYSA-N
XLogP4.00
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]-2-[furan-2-ylmethyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 1060744
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 18291878
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-(2-anilino-2-oxoethyl)-2,2-dichloro-N-(furan-2-ylmethyl)-1-methylcyclopropane-1-carboxamide
CID 42920707
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 47012190
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18098359
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18098369
2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 55354166

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide (CID 24518090) is 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide is CC(=O)Nc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is TUXRLADIYAKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-17(27)24-19-9-11-21(12-10-19)31-16-23(29)26(14-20-8-5-13-30-20)15-22(28)25-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide?
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 437.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 24518090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).