2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide

C21H28N2O4S — CID 39083744

IUPAC2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4S/c1-14-2-4-18(5-3-14)22-19(24)12-28(26,27)13-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyZJWVRCZWEYCQIK-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.43
Rot. Bonds6

About 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide

2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (PubChem CID 39083744) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
PubChem CID39083744
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O4S/c1-14-2-4-18(5-3-14)22-19(24)12-28(26,27)13-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyZJWVRCZWEYCQIK-UHFFFAOYSA-N
XLogP2.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)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

2-[2-(4-methylanilino)-2-oxoethyl]sulfonylacetate
CID 6986822
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
2-[1-adamantyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 22194369
(2R)-N-(1-adamantylcarbamoyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 9347479
N-(1-adamantyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55334827
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide (CID 39083744) is 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
The InChIKey is ZJWVRCZWEYCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-2-4-18(5-3-14)22-19(24)12-28(26,27)13-20(25)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide?
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 39083744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).