N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C18H28N2O4S — CID 3152698

IUPACN-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-3-24-14-4-11-19-18(21)16-9-12-20(13-10-16)25(22,23)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3,(H,19,21)
InChIKeyBZFZTNIZLBMSIH-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.94
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3152698) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3152698
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N2O4S/c1-3-24-14-4-11-19-18(21)16-9-12-20(13-10-16)25(22,23)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3,(H,19,21)
InChIKeyBZFZTNIZLBMSIH-UHFFFAOYSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
Ethyl 4-(3-{4-[(isobutylamino)sulfonyl]phenyl}propanoyl)-1-piperazinecarboxylate
CID 2950527
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
Ethyl 1-((4-methylphenyl)sulfonyl)-3-oxo-2-piperazineacetate
CID 3841623
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
N-(2-methoxyethyl)-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 4211783

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 3152698) is N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is BZFZTNIZLBMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-24-14-4-11-19-18(21)16-9-12-20(13-10-16)25(22,23)17-7-5-15(2)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3152698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).