N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide

C15H14N2O3S2 — CID 91027363

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc2c(s1)CCC2
InChIInChI=1S/C15H14N2O3S2/c18-14(16-15-8-10-2-1-3-13(10)22-15)9-21-12-6-4-11(5-7-12)17(19)20/h4-8H,1-3,9H2,(H,16,18)
InChIKeyDISWOSRQYCFPSD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 91027363) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID91027363
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc2c(s1)CCC2
InChIInChI=1S/C15H14N2O3S2/c18-14(16-15-8-10-2-1-3-13(10)22-15)9-21-12-6-4-11(5-7-12)17(19)20/h4-8H,1-3,9H2,(H,16,18)
InChIKeyDISWOSRQYCFPSD-UHFFFAOYSA-N
XLogP3.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide (CID 91027363) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide is O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is DISWOSRQYCFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c18-14(16-15-8-10-2-1-3-13(10)22-15)9-21-12-6-4-11(5-7-12)17(19)20/h4-8H,1-3,9H2,(H,16,18).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 91027363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).