1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide

C22H30N4O4S — CID 55601923

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCc4c3cnn4C)CC2)cc1
InChIInChI=1S/C22H30N4O4S/c1-3-30-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22(27)24-20-5-4-6-21-19(20)15-23-25(21)2/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,24,27)
InChIKeyPIVWMCDOMLZLIF-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.41
Rot. Bonds6

About 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide (PubChem CID 55601923) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
PubChem CID55601923
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCc4c3cnn4C)CC2)cc1
InChIInChI=1S/C22H30N4O4S/c1-3-30-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22(27)24-20-5-4-6-21-19(20)15-23-25(21)2/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,24,27)
InChIKeyPIVWMCDOMLZLIF-UHFFFAOYSA-N
XLogP2.41
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
CID 55601975
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
7-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94804289
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
azepan-1-yl-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 35062852
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965923
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55635619
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
6-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-indole-2-carboxamide
CID 94442462
1-(4-ethoxyphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18082310

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide (CID 55601923) is 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCc4c3cnn4C)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
The InChIKey is PIVWMCDOMLZLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-3-30-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22(27)24-20-5-4-6-21-19(20)15-23-25(21)2/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55601923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).