N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide

C21H29NO3S — CID 157175668

IUPACN-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)C(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO3S/c1-21(2,22-26(24,25)18-6-4-3-5-7-18)20(23)13-19-16-9-14-8-15(11-16)12-17(19)10-14/h3-7,14-17,19,22H,8-13H2,1-2H3
InChIKeyANYXPTORMMTGFT-UHFFFAOYSA-N
MW375.53 g/mol
LogP3.78
Rot. Bonds6

About N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide

N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide (PubChem CID 157175668) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide
PubChem CID157175668
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC NameN-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)C(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO3S/c1-21(2,22-26(24,25)18-6-4-3-5-7-18)20(23)13-19-16-9-14-8-15(11-16)12-17(19)10-14/h3-7,14-17,19,22H,8-13H2,1-2H3
InChIKeyANYXPTORMMTGFT-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide 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

(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-N-(benzenesulfonyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxamide
CID 177659781
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-N-(4-methylphenyl)sulfonyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxamide
CID 177660659
N-[4-(2-adamantyl)-2-methyl-3-oxopent-4-en-2-yl]-2-chloro-4-fluorobenzenesulfonamide
CID 89402846
N-(4-acetyl-1-adamantyl)-4-(trifluoromethyl)benzenesulfonamide
CID 140839068
4-[3-[(3,5-Difluorophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 146920779
4-[3-Methyl-2-oxo-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 147040082
2,6-difluoro-N-[4-(5-hydroxy-2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide
CID 147653368
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 147671304
4-[3-[(2,5-Difluorophenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 147894696
4-[3-Methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 148106624
4-[3-[(3-Fluoro-4-methylphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 148148281
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]-3-chloro-4-fluorobenzenesulfonamide
CID 148270575

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide (CID 157175668) is N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccccc1)C(=O)CC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is ANYXPTORMMTGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-21(2,22-26(24,25)18-6-4-3-5-7-18)20(23)13-19-16-9-14-8-15(11-16)12-17(19)10-14/h3-7,14-17,19,22H,8-13H2,1-2H3.
What are the key properties of N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide?
N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-adamantyl)-2-methyl-3-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 157175668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).