N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide

C19H17F3N2O2S — CID 94828843

IUPACN-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESO=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)15-4-2-1-3-11(15)13-9-14(13)17(26)24-18-12(7-8-27-18)16(25)23-10-5-6-10/h1-4,7-8,10,13-14H,5-6,9H2,(H,23,25)(H,24,26)/t13-,14+/m1/s1
InChIKeyNJBDBWJAIIAHAA-KGLIPLIRSA-N
MW394.42 g/mol
LogP4.40
Rot. Bonds5

About N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide

N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide (PubChem CID 94828843) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide
PubChem CID94828843
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide
SMILESO=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2S/c20-19(21,22)15-4-2-1-3-11(15)13-9-14(13)17(26)24-18-12(7-8-27-18)16(25)23-10-5-6-10/h1-4,7-8,10,13-14H,5-6,9H2,(H,23,25)(H,24,26)/t13-,14+/m1/s1
InChIKeyNJBDBWJAIIAHAA-KGLIPLIRSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148433
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
1-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 124700304
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112812976
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
trans-(1S,2S)-N-(2-sulfamoylethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96559310
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055578
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide (CID 94828843) is N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide is O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide?
The InChIKey is NJBDBWJAIIAHAA-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c20-19(21,22)15-4-2-1-3-11(15)13-9-14(13)17(26)24-18-12(7-8-27-18)16(25)23-10-5-6-10/h1-4,7-8,10,13-14H,5-6,9H2,(H,23,25)(H,24,26)/t13-,14+/m1/s1.
What are the key properties of N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide?
N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 94828843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).