N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C15H15F3N2OS — CID 118707067

IUPACN-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCNc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2OS/c1-2-5-19-11-7-10(15(16,17)18)8-12(9-11)20-14(21)13-4-3-6-22-13/h3-4,6-9,19H,2,5H2,1H3,(H,20,21)
InChIKeyTZLVKUCIPMWSSF-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.84
Rot. Bonds5

About N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118707067) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118707067
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCCCNc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2OS/c1-2-5-19-11-7-10(15(16,17)18)8-12(9-11)20-14(21)13-4-3-6-22-13/h3-4,6-9,19H,2,5H2,1H3,(H,20,21)
InChIKeyTZLVKUCIPMWSSF-UHFFFAOYSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
3-(4-Methylanilino)-1-thiophen-2-ylpropan-1-one
CID 877310
N-(3-aminophenyl)thiophene-2-carboxamide
CID 675398
N-phenyl-3-thiophenecarboxamide
CID 902479
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986
3-[(4-Fluoro-3-methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2211284
N-[3-(methanesulfonamido)-4-methylphenyl]thiophene-3-carboxamide
CID 2811612
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
N-(3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 847872
3-[(4-Methylphenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210959

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118707067) is N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CCCNc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is TZLVKUCIPMWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-2-5-19-11-7-10(15(16,17)18)8-12(9-11)20-14(21)13-4-3-6-22-13/h3-4,6-9,19H,2,5H2,1H3,(H,20,21).
What are the key properties of N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118707067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).