N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide

C13H10F3NOS — CID 17436374

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18)
InChIKeyWONXKBXWJLPRHN-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.70
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide

N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 17436374) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID17436374
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18)
InChIKeyWONXKBXWJLPRHN-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 59458588
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]thiophene-3-carboxamide
CID 71071188
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide (CID 17436374) is N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is WONXKBXWJLPRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-6,8H,7H2,(H,17,18).
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 17436374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).