1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide

C26H35N3O7S2 — CID 133155330

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1
InChIInChI=1S/C26H35N3O7S2/c1-35-22-9-12-24(36-2)25(18-22)38(33,34)29-17-5-6-21(19-29)26(30)27-14-13-20-7-10-23(11-8-20)37(31,32)28-15-3-4-16-28/h7-12,18,21H,3-6,13-17,19H2,1-2H3,(H,27,30)
InChIKeyRSYODZUJTRJLLI-UHFFFAOYSA-N
MW565.71 g/mol
LogP2.25
Rot. Bonds10

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 133155330) has the molecular formula C26H35N3O7S2 and a molecular weight of 565.71 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID133155330
Molecular FormulaC26H35N3O7S2
Molecular Weight565.71 g/mol
Exact Mass565.19
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1
InChIInChI=1S/C26H35N3O7S2/c1-35-22-9-12-24(36-2)25(18-22)38(33,34)29-17-5-6-21(19-29)26(30)27-14-13-20-7-10-23(11-8-20)37(31,32)28-15-3-4-16-28/h7-12,18,21H,3-6,13-17,19H2,1-2H3,(H,27,30)
InChIKeyRSYODZUJTRJLLI-UHFFFAOYSA-N
XLogP2.25
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.71
LogP ≤ 52.25
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
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2968136
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861855
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 100795875
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133155297
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 100801246
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197613

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide (CID 133155330) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is RSYODZUJTRJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O7S2/c1-35-22-9-12-24(36-2)25(18-22)38(33,34)29-17-5-6-21(19-29)26(30)27-14-13-20-7-10-23(11-8-20)37(31,32)28-15-3-4-16-28/h7-12,18,21H,3-6,13-17,19H2,1-2H3,(H,27,30).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 565.71 g/mol, XLogP of 2.25, 10 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-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 133155330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).