N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide

C18H21N3O6S — CID 3773201

IUPACN-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(N(C(=O)CN(C)C(=O)c2ccccc2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C18H21N3O6S/c1-20(18(23)13-8-6-5-7-9-13)12-16(22)21(28(4,24)25)14-10-11-15(26-2)19-17(14)27-3/h5-11H,12H2,1-4H3
InChIKeyIKEBXQTZZCFGEC-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.16
Rot. Bonds7

About N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 3773201) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID3773201
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCOc1ccc(N(C(=O)CN(C)C(=O)c2ccccc2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C18H21N3O6S/c1-20(18(23)13-8-6-5-7-9-13)12-16(22)21(28(4,24)25)14-10-11-15(26-2)19-17(14)27-3/h5-11H,12H2,1-4H3
InChIKeyIKEBXQTZZCFGEC-UHFFFAOYSA-N
XLogP1.16
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide (CID 3773201) is N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide is COc1ccc(N(C(=O)CN(C)C(=O)c2ccccc2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is IKEBXQTZZCFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-20(18(23)13-8-6-5-7-9-13)12-16(22)21(28(4,24)25)14-10-11-15(26-2)19-17(14)27-3/h5-11H,12H2,1-4H3.
What are the key properties of N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 407.45 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethoxy-3-pyridinyl)-methylsulfonylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 3773201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).