2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

C15H22ClNO2S — CID 103725645

IUPAC2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-2-5-12(8-9-18)10-17-15(19)11-20-14-7-4-3-6-13(14)16/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyLDKFSDLIEOVMMJ-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.35
Rot. Bonds9

About 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725645) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725645
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-2-5-12(8-9-18)10-17-15(19)11-20-14-7-4-3-6-13(14)16/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyLDKFSDLIEOVMMJ-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(2-chlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 65223556
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111503966
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725645) is 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is LDKFSDLIEOVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-2-5-12(8-9-18)10-17-15(19)11-20-14-7-4-3-6-13(14)16/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 315.87 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).