2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C24H28N4O4S — CID 1320787

IUPAC2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C24H28N4O4S/c1-16-14-17(2)26-23(25-16)28-33(30,31)21-12-8-19(9-13-21)27-22(29)15-32-20-10-6-18(7-11-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyNDHUFNYOQLHTSA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1320787) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID1320787
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C24H28N4O4S/c1-16-14-17(2)26-23(25-16)28-33(30,31)21-12-8-19(9-13-21)27-22(29)15-32-20-10-6-18(7-11-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyNDHUFNYOQLHTSA-UHFFFAOYSA-N
XLogP4.21
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
2-(4-Isopropyl-phenoxy)-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1078192
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
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-ethoxyphenoxy)acetamide
CID 1193009
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 2142907

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 1320787) is 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is NDHUFNYOQLHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16-14-17(2)26-23(25-16)28-33(30,31)21-12-8-19(9-13-21)27-22(29)15-32-20-10-6-18(7-11-20)24(3,4)5/h6-14H,15H2,1-5H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1320787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).