N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide

C20H27N3O4S — CID 8574726

IUPACN-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(9-17)23-18(24)4-5-22-19(25)20-10-13-6-14(11-20)8-15(7-13)12-20/h1-3,9,13-15H,4-8,10-12H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeySPXWOGAQSXGEDN-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.00
Rot. Bonds6

About N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide

N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide (PubChem CID 8574726) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide
PubChem CID8574726
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(9-17)23-18(24)4-5-22-19(25)20-10-13-6-14(11-20)8-15(7-13)12-20/h1-3,9,13-15H,4-8,10-12H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeySPXWOGAQSXGEDN-UHFFFAOYSA-N
XLogP2.00
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide 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-[3-[3-(methylcarbamoylamino)anilino]-3-oxopropyl]adamantane-1-carboxamide
CID 36825652
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 4826830
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
CID 81167868
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108924095

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide (CID 8574726) is N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide is NS(=O)(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide?
The InChIKey is SPXWOGAQSXGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c21-28(26,27)17-3-1-2-16(9-17)23-18(24)4-5-22-19(25)20-10-13-6-14(11-20)8-15(7-13)12-20/h1-3,9,13-15H,4-8,10-12H2,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide?
N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-sulfamoylanilino)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 8574726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).