N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide

C13H18N2O2S — CID 62504212

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C13H18N2O2S/c1-8-5-6-10(17-4)9(7-8)11(16)15-13(2,3)12(14)18/h5-7H,1-4H3,(H2,14,18)(H,15,16)
InChIKeySIQGGBZBSZJYJG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.80
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide (PubChem CID 62504212) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
PubChem CID62504212
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C13H18N2O2S/c1-8-5-6-10(17-4)9(7-8)11(16)15-13(2,3)12(14)18/h5-7H,1-4H3,(H2,14,18)(H,15,16)
InChIKeySIQGGBZBSZJYJG-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
CID 97236307
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CID 81284104
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-bromo-5-methoxybenzamide
CID 61118844
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
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2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61119206
(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
CID 143234813
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide (CID 62504212) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC(C)(C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is SIQGGBZBSZJYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-5-6-10(17-4)9(7-8)11(16)15-13(2,3)12(14)18/h5-7H,1-4H3,(H2,14,18)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 266.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62504212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).