2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide

C14H20N2O2S — CID 107769437

IUPAC2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
SMILESCCC(NC(=O)C(CS)NC(C)=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-3-12(11-7-5-4-6-8-11)16-14(18)13(9-19)15-10(2)17/h4-8,12-13,19H,3,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBCZIEXSOYMOCCV-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.69
Rot. Bonds6

About 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide

2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide (PubChem CID 107769437) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
PubChem CID107769437
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
SMILESCCC(NC(=O)C(CS)NC(C)=O)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-3-12(11-7-5-4-6-8-11)16-14(18)13(9-19)15-10(2)17/h4-8,12-13,19H,3,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBCZIEXSOYMOCCV-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]butanoic acid
CID 10314896
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide (CID 107769437) is 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide is CCC(NC(=O)C(CS)NC(C)=O)c1ccccc1.
What is the InChIKey of 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide?
The InChIKey is BCZIEXSOYMOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-12(11-7-5-4-6-8-11)16-14(18)13(9-19)15-10(2)17/h4-8,12-13,19H,3,9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide?
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).