2-(4-phenylbutylsulfanyl)acetamide

C12H17NOS — CID 10799130

IUPAC2-(4-phenylbutylsulfanyl)acetamide
SMILESNC(=O)CSCCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c13-12(14)10-15-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyGDHDEMIYNFTMLH-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-phenylbutylsulfanyl)acetamide

2-(4-phenylbutylsulfanyl)acetamide (PubChem CID 10799130) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-phenylbutylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylbutylsulfanyl)acetamide
PubChem CID10799130
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-phenylbutylsulfanyl)acetamide
SMILESNC(=O)CSCCCCc1ccccc1
InChIInChI=1S/C12H17NOS/c13-12(14)10-15-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14)
InChIKeyGDHDEMIYNFTMLH-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
3-(3-phenylpropylsulfanyl)propanoic acid
CID 24691537
5-ethylsulfanylpentylbenzene
CID 90738401
4-phenylbutylbenzene
CID 141301927
2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
CID 78786828
2-methyl-1-(4-phenylbutylsulfanyl)propan-2-amine
CID 114333818
8-phenyloctyl carbamate
CID 67180735
2-(4-phenylbutylsulfanyl)propanoic acid
CID 114332941
carbonic acid;3-phenylpropanamide
CID 174965682
1,9-diphenylnonan-5-one
CID 23467830
cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
CID 96519273
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutylsulfanyl)acetamide?
The IUPAC name of 2-(4-phenylbutylsulfanyl)acetamide (CID 10799130) is 2-(4-phenylbutylsulfanyl)acetamide.
What is the SMILES notation for 2-(4-phenylbutylsulfanyl)acetamide?
The canonical SMILES for 2-(4-phenylbutylsulfanyl)acetamide is NC(=O)CSCCCCc1ccccc1.
What is the InChIKey of 2-(4-phenylbutylsulfanyl)acetamide?
The InChIKey is GDHDEMIYNFTMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-12(14)10-15-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,13,14).
What are the key properties of 2-(4-phenylbutylsulfanyl)acetamide?
2-(4-phenylbutylsulfanyl)acetamide has a molecular weight of 223.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutylsulfanyl)acetamide is sourced from PubChem (CID 10799130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).