2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide

C15H21FN2O2S — CID 3615529

IUPAC2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C15H21FN2O2S/c1-4-18(5-2)15(20)14(17-11(3)19)10-21-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyGBUMUHFHKJOEKD-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.29
Rot. Bonds7

About 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide

2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 3615529) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID3615529
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(CSc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C15H21FN2O2S/c1-4-18(5-2)15(20)14(17-11(3)19)10-21-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyGBUMUHFHKJOEKD-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide (CID 3615529) is 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide is CCN(CC)C(=O)C(CSc1ccc(F)cc1)NC(C)=O.
What is the InChIKey of 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is GBUMUHFHKJOEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-4-18(5-2)15(20)14(17-11(3)19)10-21-13-8-6-12(16)7-9-13/h6-9,14H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide?
2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N-diethyl-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 3615529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).