N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

C17H21N3O4S2 — CID 4219162

IUPACN-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCC1
InChIInChI=1S/C17H21N3O4S2/c21-16(12-3-1-2-4-12)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,1-4,7-10H2,(H,18,19,21)
InChIKeyFGAXOGFZRLFUMQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.45
Rot. Bonds4

About N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 4219162) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID4219162
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCC1
InChIInChI=1S/C17H21N3O4S2/c21-16(12-3-1-2-4-12)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,1-4,7-10H2,(H,18,19,21)
InChIKeyFGAXOGFZRLFUMQ-UHFFFAOYSA-N
XLogP2.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide 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-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 4163586
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276
cis-(1R,2S)-2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 52500457
4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 3446299
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
2-bromo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4112345
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 4295098
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 3530771
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831705
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831566

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 4219162) is N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCC1.
What is the InChIKey of N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is FGAXOGFZRLFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c21-16(12-3-1-2-4-12)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,1-4,7-10H2,(H,18,19,21).
What are the key properties of N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 4219162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).