2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

C14H18ClNO2S — CID 2899744

IUPAC2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2S/c1-10(19-13-6-4-11(15)5-7-13)14(17)16-9-12-3-2-8-18-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyVSNKBMAJQXMTMJ-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2899744) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2899744
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2S/c1-10(19-13-6-4-11(15)5-7-13)14(17)16-9-12-3-2-8-18-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyVSNKBMAJQXMTMJ-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide (CID 2899744) is 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is VSNKBMAJQXMTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-10(19-13-6-4-11(15)5-7-13)14(17)16-9-12-3-2-8-18-12/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 299.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2899744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).