4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide

C15H20N2O2S — CID 39881839

IUPAC4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
SMILESCS[C@@H](C)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C15H20N2O2S/c1-10(20-2)15(19)17(13-7-8-13)9-11-3-5-12(6-4-11)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18)/t10-/m0/s1
InChIKeyJBNMXDMNJQBPLD-JTQLQIEISA-N
MW292.40 g/mol
LogP2.03
Rot. Bonds6

About 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide

4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide (PubChem CID 39881839) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
PubChem CID39881839
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide
SMILESCS[C@@H](C)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1
InChIInChI=1S/C15H20N2O2S/c1-10(20-2)15(19)17(13-7-8-13)9-11-3-5-12(6-4-11)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18)/t10-/m0/s1
InChIKeyJBNMXDMNJQBPLD-JTQLQIEISA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
4-[[cyclopropyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]benzamide
CID 38371290
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide (CID 39881839) is 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide is CS[C@@H](C)C(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide?
The InChIKey is JBNMXDMNJQBPLD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(20-2)15(19)17(13-7-8-13)9-11-3-5-12(6-4-11)14(16)18/h3-6,10,13H,7-9H2,1-2H3,(H2,16,18)/t10-/m0/s1.
What are the key properties of 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide?
4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(2S)-2-methylsulfanylpropanoyl]amino]methyl]benzamide is sourced from PubChem (CID 39881839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).