2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C21H26N2O3S — CID 78761765

IUPAC2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCS(=O)(=O)C1
InChIInChI=1S/C21H26N2O3S/c1-21(12-13-27(25,26)17-21)22-20(24)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3,(H,22,24)
InChIKeyHNMNNCKTXRGKED-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.38
Rot. Bonds7

About 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 78761765) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID78761765
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCS(=O)(=O)C1
InChIInChI=1S/C21H26N2O3S/c1-21(12-13-27(25,26)17-21)22-20(24)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3,(H,22,24)
InChIKeyHNMNNCKTXRGKED-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78963352
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
N-(1-cyanocyclopentyl)-2-(dibenzylamino)acetamide
CID 51170595
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
4-[3-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]benzoic acid
CID 125153020
(3R)-4,4,4-trifluoro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-phenylbutanamide
CID 95280249
phenyl N-(3-methyl-1,1-dioxothiolan-3-yl)carbamate
CID 3814672
2-[3-aminopropyl(methyl)amino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 81492930

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 78761765) is 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HNMNNCKTXRGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-21(12-13-27(25,26)17-21)22-20(24)16-23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3,(H,22,24).
What are the key properties of 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 78761765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).