N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C26H32N4O4S — CID 1183048

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C26H32N4O4S/c1-25(2,3)18-26(4,5)19-7-11-21(12-8-19)34-17-23(31)29-20-9-13-22(14-10-20)35(32,33)30-24-27-15-6-16-28-24/h6-16H,17-18H2,1-5H3,(H,29,31)(H,27,28,30)
InChIKeyYSLQGMCBHFDPRO-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.01
Rot. Bonds9

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 1183048) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
PubChem CID1183048
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
InChIInChI=1S/C26H32N4O4S/c1-25(2,3)18-26(4,5)19-7-11-21(12-8-19)34-17-23(31)29-20-9-13-22(14-10-20)35(32,33)30-24-27-15-6-16-28-24/h6-16H,17-18H2,1-5H3,(H,29,31)(H,27,28,30)
InChIKeyYSLQGMCBHFDPRO-UHFFFAOYSA-N
XLogP5.01
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide with MolForge

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Related Compounds

5-[[4-[2-[4-(4-Aminophenyl)sulfonylanilino]ethoxy]-3-methoxy-phenyl]methyl]pyrimidine-2,4-diamine
CID 5271326
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788595
o-Deshydroxyethyl bosentan
CID 135870740
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
2-(4-Isopropyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078192
2-(3,5-dimethylphenoxy)-N-{4-[(2-pyridinylamino)sulfonyl]phenyl}acetamide
CID 1078193
2-(3,4-dimethylphenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1078194
2-(2,4-Dimethyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078201
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 1183048) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The InChIKey is YSLQGMCBHFDPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-25(2,3)18-26(4,5)19-7-11-21(12-8-19)34-17-23(31)29-20-9-13-22(14-10-20)35(32,33)30-24-27-15-6-16-28-24/h6-16H,17-18H2,1-5H3,(H,29,31)(H,27,28,30).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 496.63 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 1183048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).