5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide

C20H20FN3OS — CID 145008001

IUPAC5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide
SMILESCc1cc(C)c2cc(NC(=O)c3cc(SN(C)C)ccc3F)ccc2n1
InChIInChI=1S/C20H20FN3OS/c1-12-9-13(2)22-19-8-5-14(10-16(12)19)23-20(25)17-11-15(26-24(3)4)6-7-18(17)21/h5-11H,1-4H3,(H,23,25)
InChIKeyICIHSGHPNRIZIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.81
Rot. Bonds4

About 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide

5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide (PubChem CID 145008001) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide
PubChem CID145008001
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide
SMILESCc1cc(C)c2cc(NC(=O)c3cc(SN(C)C)ccc3F)ccc2n1
InChIInChI=1S/C20H20FN3OS/c1-12-9-13(2)22-19-8-5-14(10-16(12)19)23-20(25)17-11-15(26-24(3)4)6-7-18(17)21/h5-11H,1-4H3,(H,23,25)
InChIKeyICIHSGHPNRIZIO-UHFFFAOYSA-N
XLogP4.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-4-methylquinolin-6-yl]-2-fluorobenzamide
CID 24762045
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 22083465
2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
CID 44569798
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
5-(dimethylaminosulfanyl)-2-methylbenzoic acid
CID 162730846
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
CID 108742551
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
5-(dimethylsulfamoyl)-2-fluoro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118694956
N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide?
The IUPAC name of 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide (CID 145008001) is 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide.
What is the SMILES notation for 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide?
The canonical SMILES for 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide is Cc1cc(C)c2cc(NC(=O)c3cc(SN(C)C)ccc3F)ccc2n1.
What is the InChIKey of 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide?
The InChIKey is ICIHSGHPNRIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-12-9-13(2)22-19-8-5-14(10-16(12)19)23-20(25)17-11-15(26-24(3)4)6-7-18(17)21/h5-11H,1-4H3,(H,23,25).
What are the key properties of 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide?
5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide has a molecular weight of 369.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylaminosulfanyl)-N-(2,4-dimethylquinolin-6-yl)-2-fluorobenzamide is sourced from PubChem (CID 145008001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).