2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

C16H19N3O4S — CID 651842

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-4-3-9-17-10-13)24(21,22)15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyBJWCIIIKHPXQOE-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.03
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 651842) 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-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID651842
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-4-3-9-17-10-13)24(21,22)15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyBJWCIIIKHPXQOE-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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Related Compounds

N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)acetamide
CID 9981404
Cgs-27023
CID 446504
N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
[3H]Empa
CID 42604859

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 651842) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BJWCIIIKHPXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19(12-16(20)18-11-13-4-3-9-17-10-13)24(21,22)15-7-5-14(23-2)6-8-15/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-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-3-ylmethyl)acetamide is sourced from PubChem (CID 651842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).