3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide

C13H18ClNO2S — CID 62334608

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10(16)9-15(2)13(17)7-8-18-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9H2,1-2H3
InChIKeyZDSUXMQRQYPPQM-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.66
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide

3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide (PubChem CID 62334608) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
PubChem CID62334608
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10(16)9-15(2)13(17)7-8-18-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9H2,1-2H3
InChIKeyZDSUXMQRQYPPQM-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 62335552
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
N-(1-aminopropan-2-yl)-3-(4-chlorophenyl)sulfanyl-N-methylpropanamide
CID 119582831
4-(4-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylbutanamide
CID 78843977
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580
methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methylamino]acetate
CID 43407471
N-[(4-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide
CID 46233830
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
3-(4-chlorophenyl)sulfanyl-N-[1-(4-cyanophenyl)ethyl]-N-ethylpropanamide
CID 55593022
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide (CID 62334608) is 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide is CC(O)CN(C)C(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide?
The InChIKey is ZDSUXMQRQYPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(16)9-15(2)13(17)7-8-18-12-5-3-11(14)4-6-12/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide has a molecular weight of 287.81 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide is sourced from PubChem (CID 62334608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).