N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C19H22N2O4S — CID 134037980

IUPACN-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-19(9-10-26(24,25)13-19)21-18(23)12-20-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyFKCUYVSKFQGTFD-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.19
Rot. Bonds5

About N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 134037980) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID134037980
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-19(9-10-26(24,25)13-19)21-18(23)12-20-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyFKCUYVSKFQGTFD-UHFFFAOYSA-N
XLogP1.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide with MolForge

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Related Compounds

N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 110008754
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
N-[3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583174
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544966
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 30705980
2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95284133
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8640556

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 134037980) is N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CC1(NC(=O)CNC(=O)Cc2cccc3ccccc23)CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is FKCUYVSKFQGTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-19(9-10-26(24,25)13-19)21-18(23)12-20-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 374.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 134037980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).