N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H24N2O4S — CID 1093382

IUPACN-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C17H24N2O4S/c1-12-11-15(5-6-16(12)23-2)24(21,22)19-9-7-13(8-10-19)17(20)18-14-3-4-14/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyBWCVDKKYRDSFGF-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.68
Rot. Bonds5

About N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1093382) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1093382
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C17H24N2O4S/c1-12-11-15(5-6-16(12)23-2)24(21,22)19-9-7-13(8-10-19)17(20)18-14-3-4-14/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyBWCVDKKYRDSFGF-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 164626038
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
4-methoxy-3-methyl-N-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 6463582
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
1-{N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}piperidine-4-carboxamide
CID 982331
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
N-[2-(1-cyclohexen-1-yl)ethyl]-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1088328
N-cycloheptyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088329

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 1093382) is N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BWCVDKKYRDSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-11-15(5-6-16(12)23-2)24(21,22)19-9-7-13(8-10-19)17(20)18-14-3-4-14/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1093382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).