N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide

C14H19NO5S — CID 110755780

IUPACN-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO5S/c1-15(10-7-8-21(17,18)9-10)14(16)13-11(19-2)5-4-6-12(13)20-3/h4-6,10H,7-9H2,1-3H3
InChIKeyKKEWLDGGBXAWHP-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.96
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide

N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide (PubChem CID 110755780) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
PubChem CID110755780
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19NO5S/c1-15(10-7-8-21(17,18)9-10)14(16)13-11(19-2)5-4-6-12(13)20-3/h4-6,10H,7-9H2,1-3H3
InChIKeyKKEWLDGGBXAWHP-UHFFFAOYSA-N
XLogP0.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methyl-1-phenylpyrazole-3-carboxamide
CID 42896627
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-methylacetamide
CID 112993812
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide (CID 110755780) is N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide is COc1cccc(OC)c1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide?
The InChIKey is KKEWLDGGBXAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-15(10-7-8-21(17,18)9-10)14(16)13-11(19-2)5-4-6-12(13)20-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide?
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 110755780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).