2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C21H21N3O4S — CID 2240603

IUPAC2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-16-4-6-18(7-5-16)24-29(26,27)20-10-8-19(9-11-20)28-15-21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyDDNSBKLMPOBLSU-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.89
Rot. Bonds8

About 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2240603) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2240603
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-16-4-6-18(7-5-16)24-29(26,27)20-10-8-19(9-11-20)28-15-21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyDDNSBKLMPOBLSU-UHFFFAOYSA-N
XLogP2.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 2240603) is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DDNSBKLMPOBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-16-4-6-18(7-5-16)24-29(26,27)20-10-8-19(9-11-20)28-15-21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2240603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).