N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide

C24H31N3O5S — CID 55954327

IUPACN-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H31N3O5S/c1-18-7-9-21(10-8-18)26-33(30,31)22-6-3-5-20(17-22)24(29)27-14-11-19(12-15-27)23(28)25-13-4-16-32-2/h3,5-10,17,19,26H,4,11-16H2,1-2H3,(H,25,28)
InChIKeyKDQQEZSYSMUDGK-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.80
Rot. Bonds9

About N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (PubChem CID 55954327) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
PubChem CID55954327
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC NameN-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1
InChIInChI=1S/C24H31N3O5S/c1-18-7-9-21(10-8-18)26-33(30,31)22-6-3-5-20(17-22)24(29)27-14-11-19(12-15-27)23(28)25-13-4-16-32-2/h3,5-10,17,19,26H,4,11-16H2,1-2H3,(H,25,28)
InChIKeyKDQQEZSYSMUDGK-UHFFFAOYSA-N
XLogP2.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-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

1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973983
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
1-[4-(azepan-1-ylsulfonyl)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55954196
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20973116

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide (CID 55954327) is N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is KDQQEZSYSMUDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-18-7-9-21(10-8-18)26-33(30,31)22-6-3-5-20(17-22)24(29)27-14-11-19(12-15-27)23(28)25-13-4-16-32-2/h3,5-10,17,19,26H,4,11-16H2,1-2H3,(H,25,28).
What are the key properties of N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55954327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).