(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide

C19H26N4O3S — CID 95073306

IUPAC(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1
InChIInChI=1S/C19H26N4O3S/c1-3-15-8-5-6-10-17(15)21-19(24)16-9-7-11-23(12-16)27(25,26)18-13-22(4-2)14-20-18/h5-6,8,10,13-14,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyVIJUXGXVKKVDDO-INIZCTEOSA-N
MW390.51 g/mol
LogP2.50
Rot. Bonds6

About (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide

(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 95073306) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID95073306
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1
InChIInChI=1S/C19H26N4O3S/c1-3-15-8-5-6-10-17(15)21-19(24)16-9-7-11-23(12-16)27(25,26)18-13-22(4-2)14-20-18/h5-6,8,10,13-14,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyVIJUXGXVKKVDDO-INIZCTEOSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085636
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53085654
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95073269
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 95073306) is (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(CC)cn2)C1.
What is the InChIKey of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is VIJUXGXVKKVDDO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-15-8-5-6-10-17(15)21-19(24)16-9-7-11-23(12-16)27(25,26)18-13-22(4-2)14-20-18/h5-6,8,10,13-14,16H,3-4,7,9,11-12H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide?
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95073306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).