N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide

C18H20N2O2S — CID 944686

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1
InChIInChI=1S/C18H20N2O2S/c1-2-12-7-8-13(22-12)9-10-17(21)20-18-15(11-19)14-5-3-4-6-16(14)23-18/h7-8H,2-6,9-10H2,1H3,(H,20,21)
InChIKeyAGTWSHZONMYYPJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.23
Rot. Bonds5

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 944686) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID944686
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1
InChIInChI=1S/C18H20N2O2S/c1-2-12-7-8-13(22-12)9-10-17(21)20-18-15(11-19)14-5-3-4-6-16(14)23-18/h7-8H,2-6,9-10H2,1H3,(H,20,21)
InChIKeyAGTWSHZONMYYPJ-UHFFFAOYSA-N
XLogP4.23
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.23
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
2-(3-(Furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 667885
(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-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylfuran-3-carboxamide
CID 2933560
(E)-2-(3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 874463
Ethyl 2-(3-(5-ethylfuran-2-yl)propanamido)-4,5-dimethylthiophene-3-carboxylate
CID 943143
(2E)-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))-3-(5-methyl(2-furyl))prop-2-enamide
CID 2104934
Methyl 4,5-dimethyl-2-(3-(5-methylfuran-2-yl)propanamido)thiophene-3-carboxylate
CID 2237100
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
CID 2862413
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)propanamide
CID 4625719
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methoxyphenyl)propanamide
CID 57392239
2-{[4-(4-Methylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1564856

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide (CID 944686) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is AGTWSHZONMYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-12-7-8-13(22-12)9-10-17(21)20-18-15(11-19)14-5-3-4-6-16(14)23-18/h7-8H,2-6,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 328.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 944686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).