N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide

C17H21N3O5S — CID 3415207

IUPACN-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C17H21N3O5S/c1-19(2)13-8-6-7-12(11-13)17(21)20(26(5,22)23)14-9-10-15(24-3)18-16(14)25-4/h6-11H,1-5H3
InChIKeyTYHBRXBCNHIAOS-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.77
Rot. Bonds6

About N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide

N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide (PubChem CID 3415207) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide
PubChem CID3415207
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C17H21N3O5S/c1-19(2)13-8-6-7-12(11-13)17(21)20(26(5,22)23)14-9-10-15(24-3)18-16(14)25-4/h6-11H,1-5H3
InChIKeyTYHBRXBCNHIAOS-UHFFFAOYSA-N
XLogP1.77
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide (CID 3415207) is N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide is COc1ccc(N(C(=O)c2cccc(N(C)C)c2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide?
The InChIKey is TYHBRXBCNHIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-19(2)13-8-6-7-12(11-13)17(21)20(26(5,22)23)14-9-10-15(24-3)18-16(14)25-4/h6-11H,1-5H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide?
N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-3-(dimethylamino)-N-methylsulfonylbenzamide is sourced from PubChem (CID 3415207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).