N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

C19H15FN2O2S — CID 1226241

IUPACN-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C#N)c(C)o1
InChIInChI=1S/C19H15FN2O2S/c1-10-8-15(11(2)24-10)18(23)22-19-16(9-21)17(12(3)25-19)13-4-6-14(20)7-5-13/h4-8H,1-3H3,(H,22,23)
InChIKeyWLWNJIZYOGTISJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.20
Rot. Bonds3

About N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 1226241) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID1226241
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C#N)c(C)o1
InChIInChI=1S/C19H15FN2O2S/c1-10-8-15(11(2)24-10)18(23)22-19-16(9-21)17(12(3)25-19)13-4-6-14(20)7-5-13/h4-8H,1-3H3,(H,22,23)
InChIKeyWLWNJIZYOGTISJ-UHFFFAOYSA-N
XLogP5.20
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590
(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 722352
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868846
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868903
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
CID 1245035
(2E)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(5-methyl(2-furyl))prop-2-enamide
CID 2104934
N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 4788121
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(5-ethyl-2-furyl)propanamide
CID 944686
N-(3-cyano-4,5-dimethyl-2-thienyl)-2,5-dimethyl-3-furamide
CID 1246540
(E)-methyl 2-(2-cyano-3-(5-(4-fluorophenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 1527441
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethoxybenzamide
CID 673495
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 844406

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 1226241) is N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C#N)c(C)o1.
What is the InChIKey of N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WLWNJIZYOGTISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-10-8-15(11(2)24-10)18(23)22-19-16(9-21)17(12(3)25-19)13-4-6-14(20)7-5-13/h4-8H,1-3H3,(H,22,23).
What are the key properties of N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).