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

C17H19F3N2OS — CID 118707065

IUPACN-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)C(C)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2OS/c1-10(2)11(3)21-13-7-12(17(18,19)20)8-14(9-13)22-16(23)15-5-4-6-24-15/h4-11,21H,1-3H3,(H,22,23)
InChIKeyJJOTYXMTNZIMSZ-UHFFFAOYSA-N
MW356.41 g/mol
LogP5.48
Rot. Bonds5

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

N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 118707065) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID118707065
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC NameN-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCC(C)C(C)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2OS/c1-10(2)11(3)21-13-7-12(17(18,19)20)8-14(9-13)22-16(23)15-5-4-6-24-15/h4-11,21H,1-3H3,(H,22,23)
InChIKeyJJOTYXMTNZIMSZ-UHFFFAOYSA-N
XLogP5.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
N-{4-[(cyclopropylcarbonyl)amino]-2-methylphenyl}thiophene-2-carboxamide
CID 977091
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
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-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 59401768
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 59401859
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 59761513
N-[3-[[2-(diethylaminomethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 150210535
N-[3-[[2-[(dipropylamino)methyl]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 151081045

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 118707065) is N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is CC(C)C(C)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JJOTYXMTNZIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-10(2)11(3)21-13-7-12(17(18,19)20)8-14(9-13)22-16(23)15-5-4-6-24-15/h4-11,21H,1-3H3,(H,22,23).
What are the key properties of N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutan-2-ylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118707065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).