N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide

C17H14N2OS — CID 107020202

IUPACN-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S)c2)c2ccccc2n1
InChIInChI=1S/C17H14N2OS/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-17(20)12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H,18,19,20)
InChIKeyJPBJNLQJEJXJEO-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.08
Rot. Bonds2

About N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide

N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide (PubChem CID 107020202) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
PubChem CID107020202
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
SMILESCc1cc(NC(=O)c2cccc(S)c2)c2ccccc2n1
InChIInChI=1S/C17H14N2OS/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-17(20)12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H,18,19,20)
InChIKeyJPBJNLQJEJXJEO-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
CID 39849351
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
4-(2-methylphenyl)-2-[(3-sulfanylbenzoyl)amino]benzoic acid
CID 91088822
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
CID 104740834

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide (CID 107020202) is N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide is Cc1cc(NC(=O)c2cccc(S)c2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide?
The InChIKey is JPBJNLQJEJXJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-9-16(14-7-2-3-8-15(14)18-11)19-17(20)12-5-4-6-13(21)10-12/h2-10,21H,1H3,(H,18,19,20).
What are the key properties of N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide?
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide has a molecular weight of 294.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide is sourced from PubChem (CID 107020202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).