1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide

C26H34N4O5S — CID 132682302

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C2)cc1
InChIInChI=1S/C26H34N4O5S/c1-3-35-23-10-12-24(13-11-23)36(33,34)30-14-4-5-21(19-30)25(31)27-22-8-6-20(7-9-22)26(32)29-17-15-28(2)16-18-29/h6-13,21H,3-5,14-19H2,1-2H3,(H,27,31)
InChIKeyBORORYJQEOFISZ-UHFFFAOYSA-N
MW514.65 g/mol
LogP2.51
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 132682302) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID132682302
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C2)cc1
InChIInChI=1S/C26H34N4O5S/c1-3-35-23-10-12-24(13-11-23)36(33,34)30-14-4-5-21(19-30)25(31)27-22-8-6-20(7-9-22)26(32)29-17-15-28(2)16-18-29/h6-13,21H,3-5,14-19H2,1-2H3,(H,27,31)
InChIKeyBORORYJQEOFISZ-UHFFFAOYSA-N
XLogP2.51
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967841
(3R)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967868
(3S)-1-(4-bromophenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 99967743
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 41302469
(3R)-N-(4-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458111
1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 2986012
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(3S)-N-(3-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125047723
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3R)-1-(4-methylphenyl)sulfonyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]piperidine-3-carboxamide
CID 100666928

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide (CID 132682302) is 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BORORYJQEOFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-3-35-23-10-12-24(13-11-23)36(33,34)30-14-4-5-21(19-30)25(31)27-22-8-6-20(7-9-22)26(32)29-17-15-28(2)16-18-29/h6-13,21H,3-5,14-19H2,1-2H3,(H,27,31).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 2.51, 7 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-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 132682302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).