2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide

C11H14ClNOS — CID 2865304

IUPAC2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyZCCYGQFGOGPHOD-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide

2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide (PubChem CID 2865304) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide
PubChem CID2865304
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNOS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyZCCYGQFGOGPHOD-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide (CID 2865304) is 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is ZCCYGQFGOGPHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide?
2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 243.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 2865304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).