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

C20H24N2O3S — CID 51140167

IUPAC2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c23-20(21-19-11-12-26(24,25)16-19)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)
InChIKeyDTUFEPHVNFHRBV-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.99
Rot. Bonds7

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

2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 51140167) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID51140167
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C20H24N2O3S/c23-20(21-19-11-12-26(24,25)16-19)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)
InChIKeyDTUFEPHVNFHRBV-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
CID 51097266
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
(2S)-2-[benzyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51684158
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51170978
2-[benzhydryl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 27071721
2-[[3-(difluoromethoxy)phenyl]methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47088151
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 124835337
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 51140167) is 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CN(Cc1ccccc1)Cc1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DTUFEPHVNFHRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(21-19-11-12-26(24,25)16-19)15-22(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23).
What are the key properties of 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 51140167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).