3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide

C18H23N3O4S — CID 77089537

IUPAC3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H23N3O4S/c1-12-9-13(2)20-17(25-5)16(12)11-19-26(23,24)15-8-6-7-14(10-15)18(22)21(3)4/h6-10,19H,11H2,1-5H3
InChIKeySRFOXHGKLHSRJL-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.89
Rot. Bonds6

About 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide

3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide (PubChem CID 77089537) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
PubChem CID77089537
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H23N3O4S/c1-12-9-13(2)20-17(25-5)16(12)11-19-26(23,24)15-8-6-7-14(10-15)18(22)21(3)4/h6-10,19H,11H2,1-5H3
InChIKeySRFOXHGKLHSRJL-UHFFFAOYSA-N
XLogP1.89
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
CID 77082477
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N,N-dimethyl-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylsulfamoyl]benzamide
CID 77089087
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122252827
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 77088154
3-[(2-methoxy-1,3-benzothiazol-6-yl)sulfamoyl]-N,N-dimethylbenzamide
CID 99800913
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide (CID 77089537) is 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide is COc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is SRFOXHGKLHSRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-9-13(2)20-17(25-5)16(12)11-19-26(23,24)15-8-6-7-14(10-15)18(22)21(3)4/h6-10,19H,11H2,1-5H3.
What are the key properties of 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide?
3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 377.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 77089537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).