N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

C23H23ClN2O5S — CID 1318503

IUPACN-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-31-19-10-12-20(13-11-19)32(28,29)26(18-7-5-4-6-8-18)16-23(27)25-17-9-14-22(30-2)21(24)15-17/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyBGHFTDPULFDONI-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.58
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 1318503) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
PubChem CID1318503
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-3-31-19-10-12-20(13-11-19)32(28,29)26(18-7-5-4-6-8-18)16-23(27)25-17-9-14-22(30-2)21(24)15-17/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyBGHFTDPULFDONI-UHFFFAOYSA-N
XLogP4.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide (CID 1318503) is N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is BGHFTDPULFDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-3-31-19-10-12-20(13-11-19)32(28,29)26(18-7-5-4-6-8-18)16-23(27)25-17-9-14-22(30-2)21(24)15-17/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).