3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

C15H22ClNO2S — CID 62520657

IUPAC3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyAGNBLZQPHDQQGC-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.49
Rot. Bonds8

About 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (PubChem CID 62520657) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
PubChem CID62520657
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCSc1ccccc1Cl
InChIInChI=1S/C15H22ClNO2S/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyAGNBLZQPHDQQGC-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712971
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
CID 78786049
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylsulfanylbutanamide
CID 103602258
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500451

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (CID 62520657) is 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is CCC(CC)(CO)NC(=O)CCSc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The InChIKey is AGNBLZQPHDQQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-3-15(4-2,11-18)17-14(19)9-10-20-13-8-6-5-7-12(13)16/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide has a molecular weight of 315.87 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is sourced from PubChem (CID 62520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).