2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide

C19H22N2O3S — CID 134030712

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1SCC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-16(13-8-10-14(24-2)11-9-13)21-19(23)15-6-4-5-7-17(15)25-12-18(20)22/h4-11,16H,3,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyNTASAAFFLBGDNH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide (PubChem CID 134030712) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
PubChem CID134030712
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1SCC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-16(13-8-10-14(24-2)11-9-13)21-19(23)15-6-4-5-7-17(15)25-12-18(20)22/h4-11,16H,3,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyNTASAAFFLBGDNH-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
CID 132652302
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
CID 132655838
2-benzylsulfanyl-N-[1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 132666695
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-nitrobenzamide
CID 43886215
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
CID 28575186

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide (CID 134030712) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide is CCC(NC(=O)c1ccccc1SCC(N)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is NTASAAFFLBGDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-16(13-8-10-14(24-2)11-9-13)21-19(23)15-6-4-5-7-17(15)25-12-18(20)22/h4-11,16H,3,12H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 134030712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).