N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C27H26ClN3O3S2 — CID 16863487

IUPACN-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3ccccc3)c3nc4ccc(Cl)cc4s3)C2)cc1
InChIInChI=1S/C27H26ClN3O3S2/c1-19-9-12-23(13-10-19)36(33,34)30-15-5-8-21(18-30)26(32)31(17-20-6-3-2-4-7-20)27-29-24-14-11-22(28)16-25(24)35-27/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3
InChIKeyOYTPNJUDUYHUHT-UHFFFAOYSA-N
MW540.11 g/mol
LogP5.89
Rot. Bonds6

About N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16863487) has the molecular formula C27H26ClN3O3S2 and a molecular weight of 540.11 g/mol. Its IUPAC name is N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16863487
Molecular FormulaC27H26ClN3O3S2
Molecular Weight540.11 g/mol
Exact Mass539.11
IUPAC NameN-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3ccccc3)c3nc4ccc(Cl)cc4s3)C2)cc1
InChIInChI=1S/C27H26ClN3O3S2/c1-19-9-12-23(13-10-19)36(33,34)30-15-5-8-21(18-30)26(32)31(17-20-6-3-2-4-7-20)27-29-24-14-11-22(28)16-25(24)35-27/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3
InChIKeyOYTPNJUDUYHUHT-UHFFFAOYSA-N
XLogP5.89
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.11
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-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-benzyl-1-(4-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862578
1-(benzenesulfonyl)-N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862579
1-(benzenesulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862602
N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862580
1-(benzenesulfonyl)-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16863679
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862703
1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 16862626
N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863476
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 16827935
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16863479
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 16862692
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 16863487) is N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3ccccc3)c3nc4ccc(Cl)cc4s3)C2)cc1.
What is the InChIKey of N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OYTPNJUDUYHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3S2/c1-19-9-12-23(13-10-19)36(33,34)30-15-5-8-21(18-30)26(32)31(17-20-6-3-2-4-7-20)27-29-24-14-11-22(28)16-25(24)35-27/h2-4,6-7,9-14,16,21H,5,8,15,17-18H2,1H3.
What are the key properties of N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 540.11 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16863487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).