2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C16H19N3O4S — CID 6486950

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-5-3-4-10-17-13)24(21,22)15-8-6-14(23-2)7-9-15/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyLZCRCSCKGYDEKZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.03
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 6486950) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID6486950
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-5-3-4-10-17-13)24(21,22)15-8-6-14(23-2)7-9-15/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyLZCRCSCKGYDEKZ-UHFFFAOYSA-N
XLogP1.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 6486950) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LZCRCSCKGYDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-5-3-4-10-17-13)24(21,22)15-8-6-14(23-2)7-9-15/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 6486950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).