N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H28N4O4S — CID 20858747

IUPACN-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O4S/c1-6-18-7-9-19(10-8-18)24-22(28)15-27(20-11-13-21(31-5)14-12-20)32(29,30)23-16(2)25-26(4)17(23)3/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKeyJXVNKSSONANLJY-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.44
Rot. Bonds8

About N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 20858747) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID20858747
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O4S/c1-6-18-7-9-19(10-8-18)24-22(28)15-27(20-11-13-21(31-5)14-12-20)32(29,30)23-16(2)25-26(4)17(23)3/h7-14H,6,15H2,1-5H3,(H,24,28)
InChIKeyJXVNKSSONANLJY-UHFFFAOYSA-N
XLogP3.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 20858747) is N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is CCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is JXVNKSSONANLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-6-18-7-9-19(10-8-18)24-22(28)15-27(20-11-13-21(31-5)14-12-20)32(29,30)23-16(2)25-26(4)17(23)3/h7-14H,6,15H2,1-5H3,(H,24,28).
What are the key properties of N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 456.57 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 20858747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).