N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide

C16H17NO3S — CID 966884

IUPACN-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H17NO3S/c1-19-11-8-9-14(20-2)13(10-11)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18)
InChIKeyWHOHNWLNLSZKFL-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.68
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide

N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide (PubChem CID 966884) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
PubChem CID966884
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2SC)c1
InChIInChI=1S/C16H17NO3S/c1-19-11-8-9-14(20-2)13(10-11)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18)
InChIKeyWHOHNWLNLSZKFL-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
1-(2,5-dimethoxyphenyl)-3-(2-methylsulfanylphenyl)thiourea
CID 19648706
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8010854
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335677
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide (CID 966884) is N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide is COc1ccc(OC)c(NC(=O)c2ccccc2SC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide?
The InChIKey is WHOHNWLNLSZKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-11-8-9-14(20-2)13(10-11)17-16(18)12-6-4-5-7-15(12)21-3/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide?
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide has a molecular weight of 303.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 966884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).