N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide

C12H16N2O2S — CID 19318390

IUPACN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(N)=O)c1
InChIInChI=1S/C12H16N2O2S/c1-2-4-12(16)14-9-5-3-6-10(7-9)17-8-11(13)15/h3,5-7H,2,4,8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFIEVOFXLQYUZOB-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.00
Rot. Bonds6

About N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide (PubChem CID 19318390) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
PubChem CID19318390
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(SCC(N)=O)c1
InChIInChI=1S/C12H16N2O2S/c1-2-4-12(16)14-9-5-3-6-10(7-9)17-8-11(13)15/h3,5-7H,2,4,8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFIEVOFXLQYUZOB-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417
ethyl 4-[3-(butanoylamino)phenyl]sulfanyl-3-oxobutanoate
CID 19318471
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
N-[3-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912435
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
CID 19318409
N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299434
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 17407813
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 19299517

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide (CID 19318390) is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SCC(N)=O)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide?
The InChIKey is FIEVOFXLQYUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-4-12(16)14-9-5-3-6-10(7-9)17-8-11(13)15/h3,5-7H,2,4,8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide?
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide has a molecular weight of 252.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide is sourced from PubChem (CID 19318390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).