N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide

C17H14F3NOS — CID 4846989

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NOS/c18-17(19,20)12-7-5-11(6-8-12)16(22)21-14-9-10-23-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,21,22)
InChIKeyQOLXNKOVPILQIX-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.67
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 4846989) has the molecular formula C17H14F3NOS and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID4846989
Molecular FormulaC17H14F3NOS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NOS/c18-17(19,20)12-7-5-11(6-8-12)16(22)21-14-9-10-23-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,21,22)
InChIKeyQOLXNKOVPILQIX-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-(1-methylbutyl)-2-(methylthio)benzamide
CID 2981526
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CID 2985265
4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide
CID 4877182
3-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 16277985
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(dimethylsulfamoyl)benzamide
CID 16392850
N-(1-methyl-3-phenylpiperidin-3-yl)-2-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46850260
2-(benzylthio)-N-ethylbenzamide
CID 894590
2-(ethylthio)-N-(2-phenylethyl)benzamide
CID 971228
4-methyl-N-{2-[(4-methylbenzyl)thio]ethyl}benzamide
CID 2200390
N-(2-p-Tolylsulfanyl-ethyl)-benzamide
CID 2267038
2-methyl-N-[2-(phenylthio)ethyl]benzamide
CID 2282271

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide (CID 4846989) is N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide is O=C(NC1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QOLXNKOVPILQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS/c18-17(19,20)12-7-5-11(6-8-12)16(22)21-14-9-10-23-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 337.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4846989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).