1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

C26H35N3O7S2 — CID 43874841

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C26H35N3O7S2/c1-35-22-8-11-24(36-2)25(18-22)38(33,34)29-16-12-21(13-17-29)26(30)27-19-20-6-9-23(10-7-20)37(31,32)28-14-4-3-5-15-28/h6-11,18,21H,3-5,12-17,19H2,1-2H3,(H,27,30)
InChIKeyLNYFRYSLMUSPRE-UHFFFAOYSA-N
MW565.71 g/mol
LogP2.60
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 43874841) has the molecular formula C26H35N3O7S2 and a molecular weight of 565.71 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
PubChem CID43874841
Molecular FormulaC26H35N3O7S2
Molecular Weight565.71 g/mol
Exact Mass565.19
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C26H35N3O7S2/c1-35-22-8-11-24(36-2)25(18-22)38(33,34)29-16-12-21(13-17-29)26(30)27-19-20-6-9-23(10-7-20)37(31,32)28-14-4-3-5-15-28/h6-11,18,21H,3-5,12-17,19H2,1-2H3,(H,27,30)
InChIKeyLNYFRYSLMUSPRE-UHFFFAOYSA-N
XLogP2.60
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861855
1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133155330
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874930
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 100795875
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874981

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (CID 43874841) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LNYFRYSLMUSPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O7S2/c1-35-22-8-11-24(36-2)25(18-22)38(33,34)29-16-12-21(13-17-29)26(30)27-19-20-6-9-23(10-7-20)37(31,32)28-14-4-3-5-15-28/h6-11,18,21H,3-5,12-17,19H2,1-2H3,(H,27,30).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 565.71 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43874841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).