N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide

C16H15NOS2 — CID 24502669

IUPACN-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H15NOS2/c18-16(17-10-5-1-2-6-10)14-9-13-15(20-14)11-7-3-4-8-12(11)19-13/h3-4,7-10H,1-2,5-6H2,(H,17,18)
InChIKeyKPPORGAQYAXXER-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.79
Rot. Bonds2

About N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide

N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 24502669) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
PubChem CID24502669
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC NameN-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(NC1CCCC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H15NOS2/c18-16(17-10-5-1-2-6-10)14-9-13-15(20-14)11-7-3-4-8-12(11)19-13/h3-4,7-10H,1-2,5-6H2,(H,17,18)
InChIKeyKPPORGAQYAXXER-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 33377513
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749
[4-(methylamino)piperidin-1-yl]-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 119562691
4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
CID 6622571
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 24647533
N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068
N'-(1,1-dioxothiolane-3-carbonyl)thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 56809273
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
CID 24683485
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110497075
(1,1-dioxothiolan-3-yl) thieno[3,2-b][1]benzothiole-2-carboxylate
CID 71881511
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide?
The IUPAC name of N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide (CID 24502669) is N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide?
The canonical SMILES for N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide is O=C(NC1CCCC1)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide?
The InChIKey is KPPORGAQYAXXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c18-16(17-10-5-1-2-6-10)14-9-13-15(20-14)11-7-3-4-8-12(11)19-13/h3-4,7-10H,1-2,5-6H2,(H,17,18).
What are the key properties of N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide?
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 301.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 24502669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).