N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide

C27H21F3N2O3S — CID 69004818

IUPACN-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(C(=O)Nc1ccccc1OCc1ccccc1)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N2O3S/c28-27(29,30)20-11-6-10-19(16-20)25(33)32-24(23-14-7-15-36-23)26(34)31-21-12-4-5-13-22(21)35-17-18-8-2-1-3-9-18/h1-16,24H,17H2,(H,31,34)(H,32,33)
InChIKeyZVVRQTCBZDGLRA-UHFFFAOYSA-N
MW510.54 g/mol
LogP6.46
Rot. Bonds8

About N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide

N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69004818) has the molecular formula C27H21F3N2O3S and a molecular weight of 510.54 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
PubChem CID69004818
Molecular FormulaC27H21F3N2O3S
Molecular Weight510.54 g/mol
Exact Mass510.12
IUPAC NameN-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(C(=O)Nc1ccccc1OCc1ccccc1)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N2O3S/c28-27(29,30)20-11-6-10-19(16-20)25(33)32-24(23-14-7-15-36-23)26(34)31-21-12-4-5-13-22(21)35-17-18-8-2-1-3-9-18/h1-16,24H,17H2,(H,31,34)(H,32,33)
InChIKeyZVVRQTCBZDGLRA-UHFFFAOYSA-N
XLogP6.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide;oxalic acid
CID 51355144
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 71659909
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-[2-(4-methoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215892
2-[(2-Fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 3216730
N-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]-1-benzothiophene-2-carboxamide
CID 42625207
N-[(E)-4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]but-2-enyl]-4-thiophen-3-ylbenzamide;oxalic acid
CID 51355423
N-(3-Fluoro-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-benzo[b]thiophene-2-carboxamide
CID 53248258
5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
CID 70689653
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-5-phenylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide (CID 69004818) is N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide is O=C(NC(C(=O)Nc1ccccc1OCc1ccccc1)c1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZVVRQTCBZDGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O3S/c28-27(29,30)20-11-6-10-19(16-20)25(33)32-24(23-14-7-15-36-23)26(34)31-21-12-4-5-13-22(21)35-17-18-8-2-1-3-9-18/h1-16,24H,17H2,(H,31,34)(H,32,33).
What are the key properties of N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 510.54 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylmethoxyanilino)-1-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69004818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).