N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide

C20H16F3N3O2S — CID 56538607

IUPACN-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)13-4-1-5-14(10-13)24-12-18(27)25-15-6-2-7-16(11-15)26-19(28)17-8-3-9-29-17/h1-11,24H,12H2,(H,25,27)(H,26,28)
InChIKeyXPWGRMHWVZRGLA-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.07
Rot. Bonds6

About N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 56538607) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID56538607
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC NameN-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)13-4-1-5-14(10-13)24-12-18(27)25-15-6-2-7-16(11-15)26-19(28)17-8-3-9-29-17/h1-11,24H,12H2,(H,25,27)(H,26,28)
InChIKeyXPWGRMHWVZRGLA-UHFFFAOYSA-N
XLogP5.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide (CID 56538607) is N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is XPWGRMHWVZRGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c21-20(22,23)13-4-1-5-14(10-13)24-12-18(27)25-15-6-2-7-16(11-15)26-19(28)17-8-3-9-29-17/h1-11,24H,12H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56538607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).