1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide

C30H37N3O6S — CID 142072865

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1OC.Cc1ccc(-c2ccc(CCC(N)=O)cc2)cc1
InChIInChI=1S/C16H17NO.C14H20N2O5S/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18;1-20-12-6-5-11(8-13(12)21-2)22(18,19)16-7-3-4-10(9-16)14(15)17/h2-5,7-10H,6,11H2,1H3,(H2,17,18);5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyHQYLTHQFXPJRPI-UHFFFAOYSA-N
MW567.71 g/mol
LogP3.67
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide

1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide (PubChem CID 142072865) has the molecular formula C30H37N3O6S and a molecular weight of 567.71 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide
PubChem CID142072865
Molecular FormulaC30H37N3O6S
Molecular Weight567.71 g/mol
Exact Mass567.24
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1OC.Cc1ccc(-c2ccc(CCC(N)=O)cc2)cc1
InChIInChI=1S/C16H17NO.C14H20N2O5S/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18;1-20-12-6-5-11(8-13(12)21-2)22(18,19)16-7-3-4-10(9-16)14(15)17/h2-5,7-10H,6,11H2,1H3,(H2,17,18);5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,17)
InChIKeyHQYLTHQFXPJRPI-UHFFFAOYSA-N
XLogP3.67
TPSA142.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.71
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 28550303
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 4038087
[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
CID 110394645
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-amine
CID 42381221
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549955

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide (CID 142072865) is 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide is COc1ccc(S(=O)(=O)N2CCCC(C(N)=O)C2)cc1OC.Cc1ccc(-c2ccc(CCC(N)=O)cc2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide?
The InChIKey is HQYLTHQFXPJRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C14H20N2O5S/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(17)18;1-20-12-6-5-11(8-13(12)21-2)22(18,19)16-7-3-4-10(9-16)14(15)17/h2-5,7-10H,6,11H2,1H3,(H2,17,18);5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide?
1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide has a molecular weight of 567.71 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide;3-[4-(4-methylphenyl)phenyl]propanamide is sourced from PubChem (CID 142072865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).