N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide

C17H20N2O3S — CID 2862590

IUPACN-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1
InChIInChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyYAVQVNLTYPRFDP-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.52
Rot. Bonds4

About N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide

N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 2862590) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
PubChem CID2862590
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1
InChIInChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyYAVQVNLTYPRFDP-UHFFFAOYSA-N
XLogP3.52
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide (CID 2862590) is N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide is CCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1.
What is the InChIKey of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is YAVQVNLTYPRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-10-4-5-12-13(8-10)23-17(14(12)15(18)20)19-16(21)11-6-7-22-9(11)2/h6-7,10H,3-5,8H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide?
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2862590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).