2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide

C16H23N3O2S — CID 119615568

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-10(16(21)19-15(9-17)12-3-4-12)22-14-7-5-13(6-8-14)18-11(2)20/h5-8,10,12,15H,3-4,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHCNVWNGHSMECEC-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.98
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide

2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide (PubChem CID 119615568) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
PubChem CID119615568
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-10(16(21)19-15(9-17)12-3-4-12)22-14-7-5-13(6-8-14)18-11(2)20/h5-8,10,12,15H,3-4,9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHCNVWNGHSMECEC-UHFFFAOYSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
CID 119616338
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
(2S)-2-(4-acetamidophenyl)sulfanyl-N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 99846623
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98406344
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119590006
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(4-acetamidophenyl)sulfanyl-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide;hydrochloride
CID 119607464
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 119613815

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide (CID 119615568) is 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide is CC(=O)Nc1ccc(SC(C)C(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide?
The InChIKey is HCNVWNGHSMECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10(16(21)19-15(9-17)12-3-4-12)22-14-7-5-13(6-8-14)18-11(2)20/h5-8,10,12,15H,3-4,9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide has a molecular weight of 321.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide is sourced from PubChem (CID 119615568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).