N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C19H25ClN4O5S — CID 53085636

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(Cl)c(OC)cc3OC)C2)c1
InChIInChI=1S/C19H25ClN4O5S/c1-4-23-11-18(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-15-8-14(20)16(28-2)9-17(15)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25)
InChIKeyXMJNHVDJVCINNO-UHFFFAOYSA-N
MW456.95 g/mol
LogP2.61
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 53085636) has the molecular formula C19H25ClN4O5S and a molecular weight of 456.95 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID53085636
Molecular FormulaC19H25ClN4O5S
Molecular Weight456.95 g/mol
Exact Mass456.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(Cl)c(OC)cc3OC)C2)c1
InChIInChI=1S/C19H25ClN4O5S/c1-4-23-11-18(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-15-8-14(20)16(28-2)9-17(15)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25)
InChIKeyXMJNHVDJVCINNO-UHFFFAOYSA-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

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Related Compounds

(3R)-N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073422
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156324
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 6458686
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
(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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 53085636) is N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(Cl)c(OC)cc3OC)C2)c1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XMJNHVDJVCINNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O5S/c1-4-23-11-18(21-12-23)30(26,27)24-7-5-6-13(10-24)19(25)22-15-8-14(20)16(28-2)9-17(15)29-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,22,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
N-(5-chloro-2,4-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 N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53085636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).