N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide

C21H34N4O4S — CID 21389065

IUPACN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCC(C)CC2)cc1
InChIInChI=1S/C21H34N4O4S/c1-3-4-5-6-20(26)22-14-11-18-7-9-19(10-8-18)30(28,29)24-21(27)23-25-15-12-17(2)13-16-25/h7-10,17H,3-6,11-16H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyKUDJAWKRFAFSTQ-UHFFFAOYSA-N
MW438.59 g/mol
LogP2.56
Rot. Bonds10

About N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide

N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide (PubChem CID 21389065) has the molecular formula C21H34N4O4S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
PubChem CID21389065
Molecular FormulaC21H34N4O4S
Molecular Weight438.59 g/mol
Exact Mass438.23
IUPAC NameN-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide
SMILESCCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCC(C)CC2)cc1
InChIInChI=1S/C21H34N4O4S/c1-3-4-5-6-20(26)22-14-11-18-7-9-19(10-8-18)30(28,29)24-21(27)23-25-15-12-17(2)13-16-25/h7-10,17H,3-6,11-16H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyKUDJAWKRFAFSTQ-UHFFFAOYSA-N
XLogP2.56
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]-3-phenylpropanamide
CID 21389104
3-phenyl-N-[2-[4-(piperidin-1-ylcarbamoylsulfamoyl)phenyl]ethyl]propanamide
CID 21389041
N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
CID 70214048
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
1-(2,2-dimethylpropyl)-3-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2H-pyridine-6-carboxylic acid
CID 54514869
4-[3-(hexanoylamino)propyl]benzenesulfonyl chloride
CID 60906285
1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930
N-[2-[4-(cyclohexylsulfanylcarbamoylsulfamoyl)phenyl]ethyl]-4-methyl-2-oxopiperidine-1-carboxamide
CID 20504604
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
N-[2-[4-(3-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]pentanamide
CID 154093984

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide?
The IUPAC name of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide (CID 21389065) is N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide.
What is the SMILES notation for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide?
The canonical SMILES for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide is CCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)NN2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide?
The InChIKey is KUDJAWKRFAFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S/c1-3-4-5-6-20(26)22-14-11-18-7-9-19(10-8-18)30(28,29)24-21(27)23-25-15-12-17(2)13-16-25/h7-10,17H,3-6,11-16H2,1-2H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide?
N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide has a molecular weight of 438.59 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methylpiperidin-1-yl)carbamoylsulfamoyl]phenyl]ethyl]hexanamide is sourced from PubChem (CID 21389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).