N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

C15H20N2O4S — CID 46559066

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O4S/c1-10-5-11(2)7-12(6-10)15(19)16-8-14(18)17-13-3-4-22(20,21)9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyACNVISXYMWDXGL-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.34
Rot. Bonds4

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 46559066) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID46559066
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O4S/c1-10-5-11(2)7-12(6-10)15(19)16-8-14(18)17-13-3-4-22(20,21)9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyACNVISXYMWDXGL-UHFFFAOYSA-N
XLogP0.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535906
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 95273962
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 110407095
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95207800
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
6-(diethylamino)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 52515152
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-oxochromene-3-carboxamide
CID 110673344
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 46559066) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is ACNVISXYMWDXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-5-11(2)7-12(6-10)15(19)16-8-14(18)17-13-3-4-22(20,21)9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 324.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 46559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).