N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide

C17H16F3N3O3S — CID 55489098

IUPACN-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O3S/c1-10(22-16(26)13-7-4-8-27-13)14(24)23-12-6-3-2-5-11(12)15(25)21-9-17(18,19)20/h2-8,10H,9H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyQWYHTFNUIRCOSJ-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.80
Rot. Bonds6

About N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55489098) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID55489098
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O3S/c1-10(22-16(26)13-7-4-8-27-13)14(24)23-12-6-3-2-5-11(12)15(25)21-9-17(18,19)20/h2-8,10H,9H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyQWYHTFNUIRCOSJ-UHFFFAOYSA-N
XLogP2.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 95625392
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
N-[1-oxo-1-[(2-oxo-1H-pyridin-3-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51101073
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide (CID 55489098) is N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is QWYHTFNUIRCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-10(22-16(26)13-7-4-8-27-13)14(24)23-12-6-3-2-5-11(12)15(25)21-9-17(18,19)20/h2-8,10H,9H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55489098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).