N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C15H15F3N2O3S — CID 86833515

IUPACN-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-9-8-11(19-13(21)10-4-3-7-23-10)24-12(9)14(22)20(2)6-5-15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKeyBXTWXZGPTZJKNZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.93
Rot. Bonds5

About N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 86833515) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID86833515
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-9-8-11(19-13(21)10-4-3-7-23-10)24-12(9)14(22)20(2)6-5-15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)
InChIKeyBXTWXZGPTZJKNZ-UHFFFAOYSA-N
XLogP3.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[4-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31850637
N-[5-[butyl(2-hydroxyethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 78855793
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193298
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119551954
N-[5-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 32954737
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 86833515) is N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is BXTWXZGPTZJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-9-8-11(19-13(21)10-4-3-7-23-10)24-12(9)14(22)20(2)6-5-15(16,17)18/h3-4,7-8H,5-6H2,1-2H3,(H,19,21).
What are the key properties of N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86833515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).