N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide

C21H26N2O6S — CID 90591984

IUPACN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-16-4-6-19(7-5-16)30(25,26)20-8-10-23(11-9-20)21(24)22-15-12-17(28-2)14-18(13-15)29-3/h4-7,12-14,20H,8-11H2,1-3H3,(H,22,24)
InChIKeyAFOLLSVNXNUESW-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.18
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 90591984) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID90591984
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O6S/c1-27-16-4-6-19(7-5-16)30(25,26)20-8-10-23(11-9-20)21(24)22-15-12-17(28-2)14-18(13-15)29-3/h4-7,12-14,20H,8-11H2,1-3H3,(H,22,24)
InChIKeyAFOLLSVNXNUESW-UHFFFAOYSA-N
XLogP3.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592387
N-(2-methoxyethyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591979
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(3,4-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
CID 90589813
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide (CID 90591984) is N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide is COc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is AFOLLSVNXNUESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-16-4-6-19(7-5-16)30(25,26)20-8-10-23(11-9-20)21(24)22-15-12-17(28-2)14-18(13-15)29-3/h4-7,12-14,20H,8-11H2,1-3H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 90591984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).