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

C15H21FN2O3S — CID 4316296

IUPAC2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-18(8-9-19)15(21)14(17-11(2)20)10-22-13-6-4-12(16)5-7-13/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyLYZLRXLQTYIEEZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.26
Rot. Bonds8

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

2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (PubChem CID 4316296) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
PubChem CID4316296
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C15H21FN2O3S/c1-3-18(8-9-19)15(21)14(17-11(2)20)10-22-13-6-4-12(16)5-7-13/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyLYZLRXLQTYIEEZ-UHFFFAOYSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-3-phenylsulfanylpropanoic acid
CID 95526
Phenylmercapturic Acid
CID 2723735
(2S)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
CID 61131667
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
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
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-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide (CID 4316296) is 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)C(CSc1ccc(F)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is LYZLRXLQTYIEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-18(8-9-19)15(21)14(17-11(2)20)10-22-13-6-4-12(16)5-7-13/h4-7,14,19H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide?
2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-ethyl-3-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 4316296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).