2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C24H24N4O4S2 — CID 41419280

IUPAC2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(c1ccc(OCC(=O)NCc2ccccc2Cn2cccn2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H24N4O4S2/c1-27(34(30,31)24-8-4-15-33-24)21-9-11-22(12-10-21)32-18-23(29)25-16-19-6-2-3-7-20(19)17-28-14-5-13-26-28/h2-15H,16-18H2,1H3,(H,25,29)
InChIKeyWPQMWMJXILBECM-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.51
Rot. Bonds10

About 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 41419280) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID41419280
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(c1ccc(OCC(=O)NCc2ccccc2Cn2cccn2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H24N4O4S2/c1-27(34(30,31)24-8-4-15-33-24)21-9-11-22(12-10-21)32-18-23(29)25-16-19-6-2-3-7-20(19)17-28-14-5-13-26-28/h2-15H,16-18H2,1H3,(H,25,29)
InChIKeyWPQMWMJXILBECM-UHFFFAOYSA-N
XLogP3.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31217869
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
[2-(benzylamino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530867
N-(5-bromo-2-pyridinyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55450694
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(3-phenylsulfanylpropyl)acetamide
CID 27828642
N-[3-[benzyl(methyl)amino]propyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 41306631
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747
N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 25354917
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-[(2S)-1-aminopropan-2-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 120506152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 41419280) is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is CN(c1ccc(OCC(=O)NCc2ccccc2Cn2cccn2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is WPQMWMJXILBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-27(34(30,31)24-8-4-15-33-24)21-9-11-22(12-10-21)32-18-23(29)25-16-19-6-2-3-7-20(19)17-28-14-5-13-26-28/h2-15H,16-18H2,1H3,(H,25,29).
What are the key properties of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 496.61 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 41419280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).