4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide

C15H22N2O2S — CID 97213094

IUPAC4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@H](C)CNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(10-20-3)8-17-15(19)14-6-4-13(5-7-14)9-16-12(2)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyTVAWYDMIKZAJMT-LLVKDONJSA-N
MW294.42 g/mol
LogP2.05
Rot. Bonds7

About 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide

4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide (PubChem CID 97213094) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
PubChem CID97213094
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@H](C)CNC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(10-20-3)8-17-15(19)14-6-4-13(5-7-14)9-16-12(2)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyTVAWYDMIKZAJMT-LLVKDONJSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63961042
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide (CID 97213094) is 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide is CSC[C@H](C)CNC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide?
The InChIKey is TVAWYDMIKZAJMT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(10-20-3)8-17-15(19)14-6-4-13(5-7-14)9-16-12(2)18/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)/t11-/m1/s1.
What are the key properties of 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide?
4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide is sourced from PubChem (CID 97213094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).