1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide

C21H22N2O3S2 — CID 24594729

IUPAC1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide
SMILESCCc1ccc2nc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C21H22N2O3S2/c1-2-15-10-11-17-18(14-15)27-20(22-17)23-19(24)21(12-6-7-13-21)28(25,26)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyDGCOILHKQJVOLW-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.58
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 24594729) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID24594729
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide
SMILESCCc1ccc2nc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCCC3)sc2c1
InChIInChI=1S/C21H22N2O3S2/c1-2-15-10-11-17-18(14-15)27-20(22-17)23-19(24)21(12-6-7-13-21)28(25,26)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24)
InChIKeyDGCOILHKQJVOLW-UHFFFAOYSA-N
XLogP4.58
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 24592774
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
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
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108767836
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide (CID 24594729) is 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide is CCc1ccc2nc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCCC3)sc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is DGCOILHKQJVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-2-15-10-11-17-18(14-15)27-20(22-17)23-19(24)21(12-6-7-13-21)28(25,26)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H,22,23,24).
What are the key properties of 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 24594729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).