N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C19H26N4O3S — CID 53085666

IUPACN-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)c(C)c3)C2)c1
InChIInChI=1S/C19H26N4O3S/c1-4-22-12-18(20-13-22)27(25,26)23-9-5-6-16(11-23)19(24)21-17-8-7-14(2)15(3)10-17/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,24)
InChIKeyHAWDPXIBNYYRGT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.56
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 53085666) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID53085666
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)c(C)c3)C2)c1
InChIInChI=1S/C19H26N4O3S/c1-4-22-12-18(20-13-22)27(25,26)23-9-5-6-16(11-23)19(24)21-17-8-7-14(2)15(3)10-17/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,24)
InChIKeyHAWDPXIBNYYRGT-UHFFFAOYSA-N
XLogP2.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958671
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085636
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
(3R)-N-(3-fluoro-4-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073543
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 53085666) is N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)c(C)c3)C2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HAWDPXIBNYYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-22-12-18(20-13-22)27(25,26)23-9-5-6-16(11-23)19(24)21-17-8-7-14(2)15(3)10-17/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53085666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).