[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate

C19H19F4N3O4S — CID 11525462

IUPAC[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate
SMILESCNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(OC(=O)N(C)C)c1cccs1
InChIInChI=1S/C19H19F4N3O4S/c1-24-17(28)14(15(13-5-4-8-31-13)30-18(29)26(2)3)25-16(27)11-7-6-10(20)9-12(11)19(21,22)23/h4-9,14-15H,1-3H3,(H,24,28)(H,25,27)
InChIKeyMYWQNHPVUIJNHY-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.19
Rot. Bonds6

About [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate

[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate (PubChem CID 11525462) has the molecular formula C19H19F4N3O4S and a molecular weight of 461.44 g/mol. Its IUPAC name is [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate
PubChem CID11525462
Molecular FormulaC19H19F4N3O4S
Molecular Weight461.44 g/mol
Exact Mass461.10
IUPAC Name[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate
SMILESCNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(OC(=O)N(C)C)c1cccs1
InChIInChI=1S/C19H19F4N3O4S/c1-24-17(28)14(15(13-5-4-8-31-13)30-18(29)26(2)3)25-16(27)11-7-6-10(20)9-12(11)19(21,22)23/h4-9,14-15H,1-3H3,(H,24,28)(H,25,27)
InChIKeyMYWQNHPVUIJNHY-UHFFFAOYSA-N
XLogP3.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate 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

[1-(3-fluoro-2-methylphenyl)-2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxopropyl] N,N-dimethylcarbamate
CID 67356337
[(Z)-2-chloro-4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-5-(methylamino)-5-oxo-1-phenylpent-1-en-3-yl] N,N-dimethylcarbamate
CID 59432163
[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-1-(2-methylphenyl)-3-oxopropyl] N-methyl-N-phenylcarbamate
CID 58899083
N-[3,4-dihydroxy-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 59432149
4-fluoro-N-[1-hydroxy-3-(methylamino)-3-oxo-1-pyridin-3-ylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 59718431
4-fluoro-N-[1-(2-hydroxy-1H-indol-3-yl)-1,3-bis(methylamino)-3-oxopropan-2-yl]-2-(trifluoromethyl)benzamide
CID 16723107
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3,4-dihydroxybutanoic acid
CID 142778835
heptadecyl 2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91739565
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008833
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119358734
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875

Frequently Asked Questions

What is the IUPAC name of [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate?
The IUPAC name of [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate (CID 11525462) is [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate is CNC(=O)C(NC(=O)c1ccc(F)cc1C(F)(F)F)C(OC(=O)N(C)C)c1cccs1.
What is the InChIKey of [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate?
The InChIKey is MYWQNHPVUIJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O4S/c1-24-17(28)14(15(13-5-4-8-31-13)30-18(29)26(2)3)25-16(27)11-7-6-10(20)9-12(11)19(21,22)23/h4-9,14-15H,1-3H3,(H,24,28)(H,25,27).
What are the key properties of [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate?
[2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate has a molecular weight of 461.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]-3-(methylamino)-3-oxo-1-thiophen-2-ylpropyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11525462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).