2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide

C16H22ClNO2S — CID 75468918

IUPAC2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide
SMILESCCC(SCC(=O)NCC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2S/c1-2-15(13-3-5-14(17)6-4-13)21-11-16(19)18-9-12-7-8-20-10-12/h3-6,12,15H,2,7-11H2,1H3,(H,18,19)
InChIKeyDBOOULIRNQGJAJ-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.68
Rot. Bonds7

About 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide

2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 75468918) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide
PubChem CID75468918
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide
SMILESCCC(SCC(=O)NCC1CCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO2S/c1-2-15(13-3-5-14(17)6-4-13)21-11-16(19)18-9-12-7-8-20-10-12/h3-6,12,15H,2,7-11H2,1H3,(H,18,19)
InChIKeyDBOOULIRNQGJAJ-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
2-[[1-(4-chlorophenyl)cyclopentyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95570956
2-[2-amino-1-(4-chlorophenyl)ethyl]sulfanyl-N-propylacetamide
CID 114233402
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 86779499
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide (CID 75468918) is 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide is CCC(SCC(=O)NCC1CCOC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is DBOOULIRNQGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-2-15(13-3-5-14(17)6-4-13)21-11-16(19)18-9-12-7-8-20-10-12/h3-6,12,15H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide?
2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 327.88 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylsulfanyl]-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 75468918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).