N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide

C19H28N4O5S — CID 12884408

IUPACN-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C19H28N4O5S/c1-2-3-12-20-18(25)22-29(27,28)16-9-7-15(8-10-16)11-13-21-19(26)23-14-5-4-6-17(23)24/h7-10H,2-6,11-14H2,1H3,(H,21,26)(H2,20,22,25)
InChIKeyDPTFTKLPMYIYDZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.74
Rot. Bonds8

About N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide

N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide (PubChem CID 12884408) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
PubChem CID12884408
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC NameN-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1
InChIInChI=1S/C19H28N4O5S/c1-2-3-12-20-18(25)22-29(27,28)16-9-7-15(8-10-16)11-13-21-19(26)23-14-5-4-6-17(23)24/h7-10H,2-6,11-14H2,1H3,(H,21,26)(H2,20,22,25)
InChIKeyDPTFTKLPMYIYDZ-UHFFFAOYSA-N
XLogP1.74
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.74
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

1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-
CID 3476
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155549031
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155555878
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-propylbenzenesulfonamide
CID 653436
N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1007879

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide (CID 12884408) is N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide is CCCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The InChIKey is DPTFTKLPMYIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-2-3-12-20-18(25)22-29(27,28)16-9-7-15(8-10-16)11-13-21-19(26)23-14-5-4-6-17(23)24/h7-10H,2-6,11-14H2,1H3,(H,21,26)(H2,20,22,25).
What are the key properties of N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-2-oxopiperidine-1-carboxamide is sourced from PubChem (CID 12884408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).