N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide

C20H26N3O3S+ — CID 7195986

IUPACN-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(24)21-18-7-9-20(10-8-18)27(25,26)22-19-11-13-23(14-12-19)15-17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3,(H,21,24)/p+1
InChIKeyLOBUABOINZONHD-UHFFFAOYSA-O
MW388.51 g/mol
LogP1.17
Rot. Bonds6

About N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 7195986) has the molecular formula C20H26N3O3S+ and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID7195986
Molecular FormulaC20H26N3O3S+
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16(24)21-18-7-9-20(10-8-18)27(25,26)22-19-11-13-23(14-12-19)15-17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3,(H,21,24)/p+1
InChIKeyLOBUABOINZONHD-UHFFFAOYSA-O
XLogP1.17
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide 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-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
2-amino-N-(1-benzylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7085182
1-benzyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045094
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-[4-(cyclopropylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 7436765
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 97246583
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-methoxy-2-methylpropanamide
CID 124843343
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide (CID 7195986) is N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is LOBUABOINZONHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O3S/c1-16(24)21-18-7-9-20(10-8-18)27(25,26)22-19-11-13-23(14-12-19)15-17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3,(H,21,24)/p+1.
What are the key properties of N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 7195986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).