N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide

C12H17NO2S — CID 46935149

IUPACN-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
SMILESCOc1cccc(SC(C)CNC(C)=O)c1
InChIInChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyJXAUKESHFHRNAG-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide

N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide (PubChem CID 46935149) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
PubChem CID46935149
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
SMILESCOc1cccc(SC(C)CNC(C)=O)c1
InChIInChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyJXAUKESHFHRNAG-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62582786
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
3-(3-methoxyphenyl)sulfanyl-N-methylbutan-2-amine
CID 64621459
2-(3-methoxyphenyl)sulfanyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62582422
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
S-(3-methoxyphenyl) N,N-diethylcarbamothioate
CID 10847603

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide (CID 46935149) is N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide is COc1cccc(SC(C)CNC(C)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide?
The InChIKey is JXAUKESHFHRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide?
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide is sourced from PubChem (CID 46935149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).