4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

C20H26N4O5S — CID 41191852

IUPAC4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O5S/c1-3-29-17-5-7-18(8-6-17)30(26,27)24-12-10-23(11-13-24)20(25)22-15-16-4-9-19(28-2)21-14-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25)
InChIKeySSPCNRZJUPGYIA-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.71
Rot. Bonds7

About 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 41191852) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID41191852
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)nc3)CC2)cc1
InChIInChI=1S/C20H26N4O5S/c1-3-29-17-5-7-18(8-6-17)30(26,27)24-12-10-23(11-13-24)20(25)22-15-16-4-9-19(28-2)21-14-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25)
InChIKeySSPCNRZJUPGYIA-UHFFFAOYSA-N
XLogP1.71
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(4-ethoxyphenyl)sulfonyl-N-(furan-3-ylmethyl)piperazine-1-carboxamide
CID 55809205
4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 41191853
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
2-(3,4-dimethoxyphenyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 34235023
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(2,6-dimethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 108567799
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 2664078
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
cyclobutyl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 2664075
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 78780243

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 41191852) is 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)nc3)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is SSPCNRZJUPGYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-3-29-17-5-7-18(8-6-17)30(26,27)24-12-10-23(11-13-24)20(25)22-15-16-4-9-19(28-2)21-14-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 41191852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).