2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

C15H14F2N2O2S — CID 4766562

IUPAC2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(F)ccc2F)c1C(N)=O
InChIInChI=1S/C15H14F2N2O2S/c1-3-9-7(2)22-15(12(9)13(18)20)19-14(21)10-6-8(16)4-5-11(10)17/h4-6H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyHLBILPGTDZEUPU-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.25
Rot. Bonds4

About 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 4766562) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID4766562
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(F)ccc2F)c1C(N)=O
InChIInChI=1S/C15H14F2N2O2S/c1-3-9-7(2)22-15(12(9)13(18)20)19-14(21)10-6-8(16)4-5-11(10)17/h4-6H,3H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyHLBILPGTDZEUPU-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1292949
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 868760
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673535
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-[(2,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4766689
2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168930
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168938
methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 4766562) is 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2cc(F)ccc2F)c1C(N)=O.
What is the InChIKey of 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is HLBILPGTDZEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-3-9-7(2)22-15(12(9)13(18)20)19-14(21)10-6-8(16)4-5-11(10)17/h4-6H,3H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 4766562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).