4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide

C11H13F4N3O2S — CID 106296533

IUPAC4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCC(F)(F)C(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H13F4N3O2S/c1-2-4(19)7-6(16)5(8(17)20)9(21-7)18-3-11(14,15)10(12)13/h10,18H,2-3,16H2,1H3,(H2,17,20)
InChIKeyWRYCECNDVIFZQQ-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.33
Rot. Bonds7

About 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide

4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide (PubChem CID 106296533) has the molecular formula C11H13F4N3O2S and a molecular weight of 327.30 g/mol. Its IUPAC name is 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
PubChem CID106296533
Molecular FormulaC11H13F4N3O2S
Molecular Weight327.30 g/mol
Exact Mass327.07
IUPAC Name4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCC(F)(F)C(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H13F4N3O2S/c1-2-4(19)7-6(16)5(8(17)20)9(21-7)18-3-11(14,15)10(12)13/h10,18H,2-3,16H2,1H3,(H2,17,20)
InChIKeyWRYCECNDVIFZQQ-UHFFFAOYSA-N
XLogP2.33
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425822
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
ethyl 3-amino-4-methoxy-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296512
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
methyl 4-amino-5-cyano-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxylate
CID 106296505
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
ethyl 4-amino-2-(2-methylpropylamino)-5-propanoylthiophene-3-carboxylate
CID 103423873
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide (CID 106296533) is 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide is CCC(=O)c1sc(NCC(F)(F)C(F)F)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide?
The InChIKey is WRYCECNDVIFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O2S/c1-2-4(19)7-6(16)5(8(17)20)9(21-7)18-3-11(14,15)10(12)13/h10,18H,2-3,16H2,1H3,(H2,17,20).
What are the key properties of 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide?
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide is sourced from PubChem (CID 106296533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).