N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide

C18H29N3O3S — CID 119723676

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H29N3O3S/c1-15(17-8-5-9-19-14-17)12-18(22)20-10-11-25(23,24)21-13-16-6-3-2-4-7-16/h2-4,6-7,15,17,19,21H,5,8-14H2,1H3,(H,20,22)
InChIKeyPAUKMEDIVNSQCZ-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.25
Rot. Bonds9

About N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide

N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119723676) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119723676
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCNC1
InChIInChI=1S/C18H29N3O3S/c1-15(17-8-5-9-19-14-17)12-18(22)20-10-11-25(23,24)21-13-16-6-3-2-4-7-16/h2-4,6-7,15,17,19,21H,5,8-14H2,1H3,(H,20,22)
InChIKeyPAUKMEDIVNSQCZ-UHFFFAOYSA-N
XLogP1.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide 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

N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[2-(benzylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119723698
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide (CID 119723676) is N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCS(=O)(=O)NCc1ccccc1)C1CCCNC1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is PAUKMEDIVNSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15(17-8-5-9-19-14-17)12-18(22)20-10-11-25(23,24)21-13-16-6-3-2-4-7-16/h2-4,6-7,15,17,19,21H,5,8-14H2,1H3,(H,20,22).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 367.52 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119723676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).