1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide

C18H28N2O4S — CID 3922665

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H28N2O4S/c1-13(2)11-19-18(21)15-6-5-9-20(12-15)25(22,23)17-10-14(3)7-8-16(17)24-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyGJSGFDZGCXIPQM-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.18
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 3922665) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID3922665
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NCC(C)C)C1
InChIInChI=1S/C18H28N2O4S/c1-13(2)11-19-18(21)15-6-5-9-20(12-15)25(22,23)17-10-14(3)7-8-16(17)24-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChIKeyGJSGFDZGCXIPQM-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
MicroRNA modulator-1
CID 5967303
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 894431
3-{4-[(isopropylamino)sulfonyl]phenyl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 1006951
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077703
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1091445
N-cyclopropyl-1-[(4-methoxy-3-methylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1093382
1-[2-[(2-Methoxy-5-methylphenyl)sulfonyl-methylamino]acetyl]piperidine-4-carboxamide
CID 1095809

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide (CID 3922665) is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCCC(C(=O)NCC(C)C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is GJSGFDZGCXIPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13(2)11-19-18(21)15-6-5-9-20(12-15)25(22,23)17-10-14(3)7-8-16(17)24-4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,19,21).
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).