(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C19H25ClN4O5S — CID 95073422

IUPAC(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)cc(OC)cc3OC)C2)c1
InChIInChI=1S/C19H25ClN4O5S/c1-4-23-11-17(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-18-15(20)8-14(28-2)9-16(18)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyHVHCUXVUXATSMO-CYBMUJFWSA-N
MW456.95 g/mol
LogP2.61
Rot. Bonds7

About (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 95073422) has the molecular formula C19H25ClN4O5S and a molecular weight of 456.95 g/mol. Its IUPAC name is (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID95073422
Molecular FormulaC19H25ClN4O5S
Molecular Weight456.95 g/mol
Exact Mass456.12
IUPAC Name(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)cc(OC)cc3OC)C2)c1
InChIInChI=1S/C19H25ClN4O5S/c1-4-23-11-17(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-18-15(20)8-14(28-2)9-16(18)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25)/t13-/m1/s1
InChIKeyHVHCUXVUXATSMO-CYBMUJFWSA-N
XLogP2.61
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)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-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085636
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085613
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 95073422) is (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)cc(OC)cc3OC)C2)c1.
What is the InChIKey of (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HVHCUXVUXATSMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25ClN4O5S/c1-4-23-11-17(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-18-15(20)8-14(28-2)9-16(18)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 456.95 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95073422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).