3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide

C19H22N2O3S — CID 110355698

IUPAC3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(Cc1ccccc1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O3S/c1-21(13-15-6-3-2-4-7-15)18-9-5-8-16(12-18)19(22)20-17-10-11-25(23,24)14-17/h2-9,12,17H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyBZEIKSLYTMIWHH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.24
Rot. Bonds5

About 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide

3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 110355698) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID110355698
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCN(Cc1ccccc1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O3S/c1-21(13-15-6-3-2-4-7-15)18-9-5-8-16(12-18)19(22)20-17-10-11-25(23,24)14-17/h2-9,12,17H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyBZEIKSLYTMIWHH-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
2-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109256762
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 43156321
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109118948
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109369353
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
(2S)-2-[benzyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51684158

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide (CID 110355698) is 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide is CN(Cc1ccccc1)c1cccc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is BZEIKSLYTMIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(13-15-6-3-2-4-7-15)18-9-5-8-16(12-18)19(22)20-17-10-11-25(23,24)14-17/h2-9,12,17H,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide?
3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 110355698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).