N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide

C15H15NO2S — CID 107027620

IUPACN-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C15H15NO2S/c1-16(13-8-3-4-9-14(13)18-2)15(17)11-6-5-7-12(19)10-11/h3-10,19H,1-2H3
InChIKeyZFRHMLIURWSGKP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide

N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide (PubChem CID 107027620) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
PubChem CID107027620
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cccc(S)c1
InChIInChI=1S/C15H15NO2S/c1-16(13-8-3-4-9-14(13)18-2)15(17)11-6-5-7-12(19)10-11/h3-10,19H,1-2H3
InChIKeyZFRHMLIURWSGKP-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027611
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
N-(2-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762954
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
[2-[(3-methoxy-4-nitrobenzoyl)-methylamino]phenyl] 3-methoxy-4-nitrobenzoate
CID 22010675
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 47087047

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide (CID 107027620) is N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide is COc1ccccc1N(C)C(=O)c1cccc(S)c1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide?
The InChIKey is ZFRHMLIURWSGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16(13-8-3-4-9-14(13)18-2)15(17)11-6-5-7-12(19)10-11/h3-10,19H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide?
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide is sourced from PubChem (CID 107027620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).