(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide

C13H19NO2S — CID 94809014

IUPAC(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1cccc(OC)c1
InChIInChI=1S/C13H19NO2S/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyGBLBHIFVLXHHFY-SNVBAGLBSA-N
MW253.37 g/mol
LogP2.70
Rot. Bonds6

About (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide

(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide (PubChem CID 94809014) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
PubChem CID94809014
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Sc1cccc(OC)c1
InChIInChI=1S/C13H19NO2S/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyGBLBHIFVLXHHFY-SNVBAGLBSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide?
The IUPAC name of (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide (CID 94809014) is (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide is CCCNC(=O)[C@@H](C)Sc1cccc(OC)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide?
The InChIKey is GBLBHIFVLXHHFY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide?
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 94809014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).