5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C17H15F3N2O3S — CID 38260168

IUPAC5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3S/c1-9-7-13(22-15(23)10-5-6-10)26-14(9)16(24)21-11-3-2-4-12(8-11)25-17(18,19)20/h2-4,7-8,10H,5-6H2,1H3,(H,21,24)(H,22,23)
InChIKeyCFTHFDRRVIEDGF-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.56
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 38260168) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID38260168
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O3S/c1-9-7-13(22-15(23)10-5-6-10)26-14(9)16(24)21-11-3-2-4-12(8-11)25-17(18,19)20/h2-4,7-8,10H,5-6H2,1H3,(H,21,24)(H,22,23)
InChIKeyCFTHFDRRVIEDGF-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 78835864

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 38260168) is 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is CFTHFDRRVIEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-9-7-13(22-15(23)10-5-6-10)26-14(9)16(24)21-11-3-2-4-12(8-11)25-17(18,19)20/h2-4,7-8,10H,5-6H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 38260168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).