4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

C18H17NO2S — CID 3710006

IUPAC4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CSc3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C18H17NO2S/c1-11-3-6-13(7-4-11)18(21)19-15-10-22-16-8-5-12(2)9-14(16)17(15)20/h3-9,15H,10H2,1-2H3,(H,19,21)
InChIKeyUOECOVNTMWBXSD-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.39
Rot. Bonds2

About 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (PubChem CID 3710006) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
PubChem CID3710006
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CSc3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C18H17NO2S/c1-11-3-6-13(7-4-11)18(21)19-15-10-22-16-8-5-12(2)9-14(16)17(15)20/h3-9,15H,10H2,1-2H3,(H,19,21)
InChIKeyUOECOVNTMWBXSD-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
CID 4846989
N-(1-methoxypropan-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 24677546
N,N-Diethyl-4-[(4-methylsulfanyl-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10692042
7-Isopropyl-9,10,10-trioxo-9,10-dihydro-10lambda*6*-thioxanthene-3-carboxylic acid methylamide
CID 10736152
9-Oxo-9H-thioxanthene-3-carboxylic acid methylamide
CID 10849579
(+/-)-N-(2-(4-(4-(methylthio)benzylamino)piperidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 22143200
2-(benzylthio)-N-ethylbenzamide
CID 894590
2-(ethylthio)-N-(2-phenylethyl)benzamide
CID 971228
N-(2-p-Tolylsulfanyl-ethyl)-benzamide
CID 2267038
9,10,10-trioxo-N-propan-2-ylthioxanthene-3-carboxamide
CID 2335414
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2551511
N-ethyl-9,10,10-trioxo-9H-10lambda6-thioxanthene-3-carboxamide
CID 2573157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (CID 3710006) is 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is Cc1ccc(C(=O)NC2CSc3ccc(C)cc3C2=O)cc1.
What is the InChIKey of 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The InChIKey is UOECOVNTMWBXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-11-3-6-13(7-4-11)18(21)19-15-10-22-16-8-5-12(2)9-14(16)17(15)20/h3-9,15H,10H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is sourced from PubChem (CID 3710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).