N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide

C13H19NO3S — CID 78828527

IUPACN-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCC(C)O)cc1
InChIInChI=1S/C13H19NO3S/c1-10(15)9-14-13(16)7-8-18-12-5-3-11(17-2)4-6-12/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyHCXREHWQZNHIKU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.67
Rot. Bonds7

About N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 78828527) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID78828527
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NCC(C)O)cc1
InChIInChI=1S/C13H19NO3S/c1-10(15)9-14-13(16)7-8-18-12-5-3-11(17-2)4-6-12/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyHCXREHWQZNHIKU-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 97227769
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218767

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 78828527) is N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)NCC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is HCXREHWQZNHIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(15)9-14-13(16)7-8-18-12-5-3-11(17-2)4-6-12/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 78828527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).