N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H25N3O5S — CID 122579293

IUPACN-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ncccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-31-23-19(8-7-15-24-23)25-22(27)16-26(20-9-5-6-10-21(20)30-3)32(28,29)18-13-11-17(2)12-14-18/h5-15H,4,16H2,1-3H3,(H,25,27)
InChIKeyJZXAGOQKMVONTO-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.63
Rot. Bonds9

About N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 122579293) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID122579293
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ncccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H25N3O5S/c1-4-31-23-19(8-7-15-24-23)25-22(27)16-26(20-9-5-6-10-21(20)30-3)32(28,29)18-13-11-17(2)12-14-18/h5-15H,4,16H2,1-3H3,(H,25,27)
InChIKeyJZXAGOQKMVONTO-UHFFFAOYSA-N
XLogP3.63
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 122579293) is N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ncccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JZXAGOQKMVONTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-4-31-23-19(8-7-15-24-23)25-22(27)16-26(20-9-5-6-10-21(20)30-3)32(28,29)18-13-11-17(2)12-14-18/h5-15H,4,16H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 455.54 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 122579293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).