2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide

C12H17NO2S — CID 58370506

IUPAC2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C)CSC
InChIInChI=1S/C12H17NO2S/c1-9(8-16-3)13-12(14)10-6-4-5-7-11(10)15-2/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyVCEWHQBGMIZOLL-VIFPVBQESA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds5

About 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide

2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide (PubChem CID 58370506) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
PubChem CID58370506
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](C)CSC
InChIInChI=1S/C12H17NO2S/c1-9(8-16-3)13-12(14)10-6-4-5-7-11(10)15-2/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyVCEWHQBGMIZOLL-VIFPVBQESA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-methoxybenzamide
CID 3117660
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451199
(2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451201
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-[2-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 119186060
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
ethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 35526508

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide (CID 58370506) is 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide is COc1ccccc1C(=O)N[C@@H](C)CSC.
What is the InChIKey of 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide?
The InChIKey is VCEWHQBGMIZOLL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(8-16-3)13-12(14)10-6-4-5-7-11(10)15-2/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide?
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide has a molecular weight of 239.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide is sourced from PubChem (CID 58370506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).