N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H19F3N2OS — CID 57325846

IUPACN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2OS/c1-11(2)22-17(24)23-9-7-15-14(8-10-25-15)16(23)12-3-5-13(6-4-12)18(19,20)21/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,22,24)
InChIKeyJRKVBRANZVWTGC-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.83
Rot. Bonds2

About N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325846) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325846
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2OS/c1-11(2)22-17(24)23-9-7-15-14(8-10-25-15)16(23)12-3-5-13(6-4-12)18(19,20)21/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,22,24)
InChIKeyJRKVBRANZVWTGC-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325846) is N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is JRKVBRANZVWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-11(2)22-17(24)23-9-7-15-14(8-10-25-15)16(23)12-3-5-13(6-4-12)18(19,20)21/h3-6,8,10-11,16H,7,9H2,1-2H3,(H,22,24).
What are the key properties of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).