N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide

C16H18N2OS — CID 47085169

IUPACN-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide
SMILESCCSc1ccc(NC(=O)c2cccc(C)c2C)cn1
InChIInChI=1S/C16H18N2OS/c1-4-20-15-9-8-13(10-17-15)18-16(19)14-7-5-6-11(2)12(14)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyWMKJYQGEGHZQSV-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.06
Rot. Bonds4

About N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide

N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide (PubChem CID 47085169) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide
PubChem CID47085169
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide
SMILESCCSc1ccc(NC(=O)c2cccc(C)c2C)cn1
InChIInChI=1S/C16H18N2OS/c1-4-20-15-9-8-13(10-17-15)18-16(19)14-7-5-6-11(2)12(14)3/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyWMKJYQGEGHZQSV-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
N-(6-ethylsulfanyl-3-pyridinyl)-4-methyl-3-nitrobenzamide
CID 47085170
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-(6-ethylsulfanyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 52790833
4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide
CID 56548251
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea
CID 60603062
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172

Frequently Asked Questions

What is the IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide (CID 47085169) is N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide is CCSc1ccc(NC(=O)c2cccc(C)c2C)cn1.
What is the InChIKey of N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide?
The InChIKey is WMKJYQGEGHZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-4-20-15-9-8-13(10-17-15)18-16(19)14-7-5-6-11(2)12(14)3/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide?
N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide has a molecular weight of 286.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 47085169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).