[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

C12H16N2O5S2 — CID 27936183

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H16N2O5S2/c13-21(17,18)11-5-8(7-20-11)12(16)19-6-10(15)14-9-3-1-2-4-9/h5,7,9H,1-4,6H2,(H,14,15)(H2,13,17,18)
InChIKeyBERLPVTWESRUMG-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.61
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 27936183) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID27936183
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)cs1
InChIInChI=1S/C12H16N2O5S2/c13-21(17,18)11-5-8(7-20-11)12(16)19-6-10(15)14-9-3-1-2-4-9/h5,7,9H,1-4,6H2,(H,14,15)(H2,13,17,18)
InChIKeyBERLPVTWESRUMG-UHFFFAOYSA-N
XLogP0.61
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
CID 30589125
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2565326
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936391
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 62680450
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate (CID 27936183) is [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is NS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)cs1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is BERLPVTWESRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c13-21(17,18)11-5-8(7-20-11)12(16)19-6-10(15)14-9-3-1-2-4-9/h5,7,9H,1-4,6H2,(H,14,15)(H2,13,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 27936183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).