(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

C22H26ClN3O6S — CID 34360846

IUPAC(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O6S/c1-24-22(28)17-11-19(31-2)20(32-3)12-18(17)25-21(27)14-5-4-10-26(13-14)33(29,30)16-8-6-15(23)7-9-16/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyGGVQHAKESABCTH-AWEZNQCLSA-N
MW495.99 g/mol
LogP2.76
Rot. Bonds7

About (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide

(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 34360846) has the molecular formula C22H26ClN3O6S and a molecular weight of 495.99 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID34360846
Molecular FormulaC22H26ClN3O6S
Molecular Weight495.99 g/mol
Exact Mass495.12
IUPAC Name(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O6S/c1-24-22(28)17-11-19(31-2)20(32-3)12-18(17)25-21(27)14-5-4-10-26(13-14)33(29,30)16-8-6-15(23)7-9-16/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyGGVQHAKESABCTH-AWEZNQCLSA-N
XLogP2.76
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24685730
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 5201160
1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
CID 5221432
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
(3S)-N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41339354
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156324
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5164902
(3S)-N-(4-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302313
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189573
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549718

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 34360846) is (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is CNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GGVQHAKESABCTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H26ClN3O6S/c1-24-22(28)17-11-19(31-2)20(32-3)12-18(17)25-21(27)14-5-4-10-26(13-14)33(29,30)16-8-6-15(23)7-9-16/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,24,28)(H,25,27)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 495.99 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)sulfonyl-N-[4,5-dimethoxy-2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 34360846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).