2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide

C18H22N2O3S — CID 25401477

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(5-8-16-4-3-11-23-16)19-18(22)12-24-17-9-6-15(7-10-17)20-14(2)21/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyPEEBIKYKLODFFZ-ZDUSSCGKSA-N
MW346.45 g/mol
LogP3.47
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 25401477) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID25401477
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N[C@@H](C)CCc2ccco2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(5-8-16-4-3-11-23-16)19-18(22)12-24-17-9-6-15(7-10-17)20-14(2)21/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyPEEBIKYKLODFFZ-ZDUSSCGKSA-N
XLogP3.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952801
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952800
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55364221
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[3-[4-(furan-2-yl)butan-2-ylamino]-4-methylphenyl]acetamide
CID 43739655
N-(4-ethylphenyl)-2-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]sulfinylacetamide
CID 655436
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide (CID 25401477) is 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide is CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)CCc2ccco2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is PEEBIKYKLODFFZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(5-8-16-4-3-11-23-16)19-18(22)12-24-17-9-6-15(7-10-17)20-14(2)21/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 25401477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).