2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide

C13H20N2OS — CID 66231060

IUPAC2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCCC(N)CSCC(=O)N(C)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-3-11(14)9-17-10-13(16)15(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3
InChIKeyFVGPWVXMUGRSIX-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide

2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide (PubChem CID 66231060) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
PubChem CID66231060
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCCC(N)CSCC(=O)N(C)c1ccccc1
InChIInChI=1S/C13H20N2OS/c1-3-11(14)9-17-10-13(16)15(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3
InChIKeyFVGPWVXMUGRSIX-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutylsulfanyl)-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 66231248
2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
N,3-dimethyl-N-phenylpentanamide
CID 147359069
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111
N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
CID 84603233
[2-(N-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059925
4-amino-N-methyl-N-phenyltetradecanamide
CID 154348615
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
2-amino-3-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385226
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide (CID 66231060) is 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide is CCC(N)CSCC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide?
The InChIKey is FVGPWVXMUGRSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-11(14)9-17-10-13(16)15(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10,14H2,1-2H3.
What are the key properties of 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide?
2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide has a molecular weight of 252.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 66231060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).