3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide

C16H22ClNO2S — CID 102866178

IUPAC3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCSc1ccccc1Cl)N(CCCO)C1CCC1
InChIInChI=1S/C16H22ClNO2S/c17-14-7-1-2-8-15(14)21-12-9-16(20)18(10-4-11-19)13-5-3-6-13/h1-2,7-8,13,19H,3-6,9-12H2
InChIKeyPBXJGCVNACPNGE-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.59
Rot. Bonds8

About 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide

3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide (PubChem CID 102866178) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
PubChem CID102866178
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCSc1ccccc1Cl)N(CCCO)C1CCC1
InChIInChI=1S/C16H22ClNO2S/c17-14-7-1-2-8-15(14)21-12-9-16(20)18(10-4-11-19)13-5-3-6-13/h1-2,7-8,13,19H,3-6,9-12H2
InChIKeyPBXJGCVNACPNGE-UHFFFAOYSA-N
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
3-(2-chlorophenyl)sulfanylpropanoate
CID 2380456
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
CID 102866356
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide (CID 102866178) is 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide is O=C(CCSc1ccccc1Cl)N(CCCO)C1CCC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is PBXJGCVNACPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c17-14-7-1-2-8-15(14)21-12-9-16(20)18(10-4-11-19)13-5-3-6-13/h1-2,7-8,13,19H,3-6,9-12H2.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 327.88 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 102866178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).