N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

C20H19ClN2O3S2 — CID 31846671

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H19ClN2O3S2/c21-14-7-9-15(10-8-14)28(25,26)20(11-3-4-12-20)19(24)22-13-18-23-16-5-1-2-6-17(16)27-18/h1-2,5-10H,3-4,11-13H2,(H,22,24)
InChIKeyFRCUPIBQLZJHRB-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.35
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 31846671) has the molecular formula C20H19ClN2O3S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID31846671
Molecular FormulaC20H19ClN2O3S2
Molecular Weight434.97 g/mol
Exact Mass434.05
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H19ClN2O3S2/c21-14-7-9-15(10-8-14)28(25,26)20(11-3-4-12-20)19(24)22-13-18-23-16-5-1-2-6-17(16)27-18/h1-2,5-10H,3-4,11-13H2,(H,22,24)
InChIKeyFRCUPIBQLZJHRB-UHFFFAOYSA-N
XLogP4.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 55509576
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 31101367
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 31824622
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-chlorobenzenesulfonamide
CID 7938840
1-(1,3-benzothiazol-2-ylmethyl)-3-[1-(4-chlorophenyl)propyl]urea
CID 55502386
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (CID 31846671) is N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is O=C(NCc1nc2ccccc2s1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is FRCUPIBQLZJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S2/c21-14-7-9-15(10-8-14)28(25,26)20(11-3-4-12-20)19(24)22-13-18-23-16-5-1-2-6-17(16)27-18/h1-2,5-10H,3-4,11-13H2,(H,22,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 31846671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).