N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide

C20H20N2O3S2 — CID 3266949

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C20H20N2O3S2/c1-27(24,25)15-9-10-16-17(13-15)26-19(21-16)22-18(23)20(11-5-6-12-20)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,22,23)
InChIKeyCZGLNVSGXPTSDN-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.15
Rot. Bonds4

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 3266949) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
PubChem CID3266949
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C20H20N2O3S2/c1-27(24,25)15-9-10-16-17(13-15)26-19(21-16)22-18(23)20(11-5-6-12-20)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,22,23)
InChIKeyCZGLNVSGXPTSDN-UHFFFAOYSA-N
XLogP4.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 25239419
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2528625
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
(3S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 2528245
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299
1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 24594729
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide (CID 3266949) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)C3(c4ccccc4)CCCC3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CZGLNVSGXPTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-27(24,25)15-9-10-16-17(13-15)26-19(21-16)22-18(23)20(11-5-6-12-20)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 3266949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).