(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C16H18N2O3S — CID 9452084

IUPAC(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(16(20)17-10-14-4-3-9-21-14)22-15-7-5-13(6-8-15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyWWEJQKUDVHYHNT-NSHDSACASA-N
MW318.40 g/mol
LogP3.04
Rot. Bonds6

About (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 9452084) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID9452084
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(16(20)17-10-14-4-3-9-21-14)22-15-7-5-13(6-8-15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyWWEJQKUDVHYHNT-NSHDSACASA-N
XLogP3.04
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 42916165
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylsulfanylpropanamide
CID 24550978
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
2-(4-amino-3-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 79149778
N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 51327723
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
N-[2-(furan-2-yl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47051152
N-(furan-2-ylmethyl)acetamide
CID 2394850
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 9452084) is (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is WWEJQKUDVHYHNT-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(16(20)17-10-14-4-3-9-21-14)22-15-7-5-13(6-8-15)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 9452084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).