N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide

C22H25ClN2O2S — CID 112820697

IUPACN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C22H25ClN2O2S/c1-14-7-6-8-15(2)25(14)22(27)18-13-16(23)11-12-19(18)24-21(26)17-9-4-5-10-20(17)28-3/h4-5,9-15H,6-8H2,1-3H3,(H,24,26)
InChIKeyOFPDNLISHPINRZ-UHFFFAOYSA-N
MW416.97 g/mol
LogP5.72
Rot. Bonds4

About N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide

N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 112820697) has the molecular formula C22H25ClN2O2S and a molecular weight of 416.97 g/mol. Its IUPAC name is N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
PubChem CID112820697
Molecular FormulaC22H25ClN2O2S
Molecular Weight416.97 g/mol
Exact Mass416.13
IUPAC NameN-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1C(C)CCCC1C
InChIInChI=1S/C22H25ClN2O2S/c1-14-7-6-8-15(2)25(14)22(27)18-13-16(23)11-12-19(18)24-21(26)17-9-4-5-10-20(17)28-3/h4-5,9-15H,6-8H2,1-3H3,(H,24,26)
InChIKeyOFPDNLISHPINRZ-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.97
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide 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

3,6-dichloro-N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 97023352
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-methoxyacetamide
CID 95931919
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
5-chloro-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61189699
N-[4-chloro-2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 97023347
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 78889107
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-[4-chloro-2-[(2S,6S)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97023349
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 78862474

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide (CID 112820697) is N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)N1C(C)CCCC1C.
What is the InChIKey of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is OFPDNLISHPINRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2S/c1-14-7-6-8-15(2)25(14)22(27)18-13-16(23)11-12-19(18)24-21(26)17-9-4-5-10-20(17)28-3/h4-5,9-15H,6-8H2,1-3H3,(H,24,26).
What are the key properties of N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide?
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 416.97 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 112820697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).