N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C16H23NO6S — CID 18081197

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2(C)CCS(=O)(=O)C2)cc(OC)c1OC
InChIInChI=1S/C16H23NO6S/c1-16(5-6-24(19,20)10-16)17-14(18)9-11-7-12(21-2)15(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRMQNITGCUXMPSG-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.95
Rot. Bonds6

About N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 18081197) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID18081197
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2(C)CCS(=O)(=O)C2)cc(OC)c1OC
InChIInChI=1S/C16H23NO6S/c1-16(5-6-24(19,20)10-16)17-14(18)9-11-7-12(21-2)15(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRMQNITGCUXMPSG-UHFFFAOYSA-N
XLogP0.95
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013607
3,5-dichloro-4-methoxy-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzamide
CID 51924106
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
2,6-dimethoxy-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]phenol
CID 43679702
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616439
N-(1-cyanocyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592214
2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 95284133
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
4-bromo-2-methoxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78987530
[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 16503486
2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 18081197) is N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2(C)CCS(=O)(=O)C2)cc(OC)c1OC.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is RMQNITGCUXMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-16(5-6-24(19,20)10-16)17-14(18)9-11-7-12(21-2)15(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18081197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).