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

C17H14F3NOS — CID 7536993

IUPACN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NOS/c18-17(19,20)12-5-3-4-11(10-12)16(22)21-14-8-9-23-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,21,22)/t14-/m0/s1
InChIKeyPYONYXGRJGFXON-AWEZNQCLSA-N
MW337.37 g/mol
LogP4.67
Rot. Bonds2

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

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 7536993) has the molecular formula C17H14F3NOS and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID7536993
Molecular FormulaC17H14F3NOS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC NameN-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NOS/c18-17(19,20)12-5-3-4-11(10-12)16(22)21-14-8-9-23-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,21,22)/t14-/m0/s1
InChIKeyPYONYXGRJGFXON-AWEZNQCLSA-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-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 41176413
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
CID 61292904
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfonylmethyl)benzamide
CID 9117814
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7678519
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43107429
3-N-[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97216887
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
CID 120587017

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide (CID 7536993) is N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide is O=C(N[C@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is PYONYXGRJGFXON-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14F3NOS/c18-17(19,20)12-5-3-4-11(10-12)16(22)21-14-8-9-23-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide?
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(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-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7536993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).