2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide

C13H17FN2O3S — CID 4275528

IUPAC2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCO
InChIInChI=1S/C13H17FN2O3S/c1-9(18)16-12(13(19)15-6-7-17)8-20-11-4-2-10(14)3-5-11/h2-5,12,17H,6-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyKZUUYULSWHSBQY-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.53
Rot. Bonds7

About 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide

2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (PubChem CID 4275528) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
PubChem CID4275528
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCO
InChIInChI=1S/C13H17FN2O3S/c1-9(18)16-12(13(19)15-6-7-17)8-20-11-4-2-10(14)3-5-11/h2-5,12,17H,6-8H2,1H3,(H,15,19)(H,16,18)
InChIKeyKZUUYULSWHSBQY-UHFFFAOYSA-N
XLogP0.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamido-3-phenylsulfanylpropanoic acid
CID 95526
Phenylmercapturic Acid
CID 2723735
(2S)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
CID 61131667
4-(4-((4-Fluorophenyl)thio)butanoyl)-3-methylpiperazin-2-one
CID 44116506
2-(4-fluorophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 45864730
2-(4-fluorophenyl)sulfanyl-N-(2-oxoazepan-3-yl)acetamide
CID 45883540
Ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 47069933
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
(2S)-2-(3-phenylsulfanylpropanoylamino)propanoic acid
CID 92918863
(S)-phenylmercapturic acid
CID 36691342

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (CID 4275528) is 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is CC(=O)NC(CSc1ccc(F)cc1)C(=O)NCCO.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is KZUUYULSWHSBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-9(18)16-12(13(19)15-6-7-17)8-20-11-4-2-10(14)3-5-11/h2-5,12,17H,6-8H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 4275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).