3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide

C22H19F3N2O4S — CID 169040992

IUPAC3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1sccc1NC(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O4S/c1-31-18-5-3-2-4-13(18)8-10-26-21(30)19-16(9-11-32-19)27-20(29)14-6-7-17(28)15(12-14)22(23,24)25/h2-7,9,11-12,28H,8,10H2,1H3,(H,26,30)(H,27,29)
InChIKeyXWOJFWMPHZSCLB-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.71
Rot. Bonds7

About 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide

3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 169040992) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID169040992
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1sccc1NC(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O4S/c1-31-18-5-3-2-4-13(18)8-10-26-21(30)19-16(9-11-32-19)27-20(29)14-6-7-17(28)15(12-14)22(23,24)25/h2-7,9,11-12,28H,8,10H2,1H3,(H,26,30)(H,27,29)
InChIKeyXWOJFWMPHZSCLB-UHFFFAOYSA-N
XLogP4.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
2-[2-[(3-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121353
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
N-[2-[3-[(4-hydroxy-3-propan-2-ylbenzoyl)amino]-2-methoxyphenyl]ethyl]thiophene-2-carboxamide
CID 169040987
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000826

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 169040992) is 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccccc1CCNC(=O)c1sccc1NC(=O)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is XWOJFWMPHZSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-31-18-5-3-2-4-13(18)8-10-26-21(30)19-16(9-11-32-19)27-20(29)14-6-7-17(28)15(12-14)22(23,24)25/h2-7,9,11-12,28H,8,10H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide?
3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-3-(trifluoromethyl)benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 169040992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).