N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide

C17H14N2O3S — CID 2439735

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2
InChIInChI=1S/C17H14N2O3S/c18-15(20)14-10-5-3-7-13(10)23-17(14)19-16(21)12-8-9-4-1-2-6-11(9)22-12/h1-2,4,6,8H,3,5,7H2,(H2,18,20)(H,19,21)
InChIKeyBEDOWVBPFLCOBB-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.33
Rot. Bonds3

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2439735) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2439735
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2
InChIInChI=1S/C17H14N2O3S/c18-15(20)14-10-5-3-7-13(10)23-17(14)19-16(21)12-8-9-4-1-2-6-11(9)22-12/h1-2,4,6,8H,3,5,7H2,(H2,18,20)(H,19,21)
InChIKeyBEDOWVBPFLCOBB-UHFFFAOYSA-N
XLogP3.33
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide (CID 2439735) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide is NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is BEDOWVBPFLCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c18-15(20)14-10-5-3-7-13(10)23-17(14)19-16(21)12-8-9-4-1-2-6-11(9)22-12/h1-2,4,6,8H,3,5,7H2,(H2,18,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2439735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).