2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C18H23N3O3S — CID 1085431

IUPAC2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)c(C)c1
InChIInChI=1S/C18H23N3O3S/c1-13-9-14(2)18(15(3)10-13)25(23,24)21(4)12-17(22)20-11-16-5-7-19-8-6-16/h5-10H,11-12H2,1-4H3,(H,20,22)
InChIKeyUGDQMAVHDCCGRY-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.94
Rot. Bonds6

About 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1085431) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1085431
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)c(C)c1
InChIInChI=1S/C18H23N3O3S/c1-13-9-14(2)18(15(3)10-13)25(23,24)21(4)12-17(22)20-11-16-5-7-19-8-6-16/h5-10H,11-12H2,1-4H3,(H,20,22)
InChIKeyUGDQMAVHDCCGRY-UHFFFAOYSA-N
XLogP1.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 1085431) is 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)c(C)c1.
What is the InChIKey of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is UGDQMAVHDCCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-9-14(2)18(15(3)10-13)25(23,24)21(4)12-17(22)20-11-16-5-7-19-8-6-16/h5-10H,11-12H2,1-4H3,(H,20,22).
What are the key properties of 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1085431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).