4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide

C12H11F7N2O2S — CID 3459397

IUPAC4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C12H11F7N2O2S/c1-3-5-4(2)24-8(6(5)7(20)22)21-9(23)10(13,14)11(15,16)12(17,18)19/h3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyDYPYSVOIJGTMAW-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.49
Rot. Bonds5

About 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide

4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide (PubChem CID 3459397) has the molecular formula C12H11F7N2O2S and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide
PubChem CID3459397
Molecular FormulaC12H11F7N2O2S
Molecular Weight380.29 g/mol
Exact Mass380.04
IUPAC Name4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C12H11F7N2O2S/c1-3-5-4(2)24-8(6(5)7(20)22)21-9(23)10(13,14)11(15,16)12(17,18)19/h3H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyDYPYSVOIJGTMAW-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 844708
2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 19685769
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
(1R,2R,3S,4R)-3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124714125
ethyl 5-(dimethylcarbamoyl)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylthiophene-3-carboxylate
CID 4206476
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 5091755
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5085472

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide (CID 3459397) is 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide?
The InChIKey is DYPYSVOIJGTMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F7N2O2S/c1-3-5-4(2)24-8(6(5)7(20)22)21-9(23)10(13,14)11(15,16)12(17,18)19/h3H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide?
4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 3459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).