2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide

C19H25NO3S — CID 17486752

IUPAC2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21)
InChIKeyBNFNILRMNYHJBI-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.64
Rot. Bonds4

About 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide

2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 17486752) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID17486752
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21)
InChIKeyBNFNILRMNYHJBI-UHFFFAOYSA-N
XLogP3.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4810691
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
2-(1-adamantyl)-N-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]acetamide
CID 55636206
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8541550
N'-(3-acetylphenyl)sulfonyl-2-(1-adamantyl)acetohydrazide
CID 26983030
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide (CID 17486752) is 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is BNFNILRMNYHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-24(22,23)17-4-2-3-16(8-17)20-18(21)12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide?
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 17486752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).