2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide

C14H20N2O3S — CID 79851670

IUPAC2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(20(2,18)19)8-12(10)16-13(17)9-14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyWGWYVUZNJJELDU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.61
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide

2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide (PubChem CID 79851670) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
PubChem CID79851670
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(20(2,18)19)8-12(10)16-13(17)9-14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyWGWYVUZNJJELDU-UHFFFAOYSA-N
XLogP1.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
2-(1-aminocyclopentyl)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 64685240
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34194248
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
CID 62674347
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide (CID 79851670) is 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The InChIKey is WGWYVUZNJJELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-5-11(20(2,18)19)8-12(10)16-13(17)9-14(15)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 79851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).