3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride

C20H34ClN3O3S — CID 119755229

IUPAC3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-15(2)23-27(25,26)14-19-7-5-4-6-18(19)13-22-20(24)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21,23H,8-14H2,1-3H3,(H,22,24);1H
InChIKeyMUTLAANLRVDMPN-UHFFFAOYSA-N
MW432.03 g/mol
LogP2.58
Rot. Bonds9

About 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119755229) has the molecular formula C20H34ClN3O3S and a molecular weight of 432.03 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID119755229
Molecular FormulaC20H34ClN3O3S
Molecular Weight432.03 g/mol
Exact Mass431.20
IUPAC Name3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-15(2)23-27(25,26)14-19-7-5-4-6-18(19)13-22-20(24)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21,23H,8-14H2,1-3H3,(H,22,24);1H
InChIKeyMUTLAANLRVDMPN-UHFFFAOYSA-N
XLogP2.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride 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-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride (CID 119755229) is 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is MUTLAANLRVDMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S.ClH/c1-15(2)23-27(25,26)14-19-7-5-4-6-18(19)13-22-20(24)12-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21,23H,8-14H2,1-3H3,(H,22,24);1H.
What are the key properties of 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 432.03 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119755229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).