N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23ClN2O4S — CID 1333249

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-8-12-19(13-9-16)31(28,29)26(21-6-4-5-7-22(21)30-3)15-23(27)25-18-11-10-17(2)20(24)14-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyJSTNAVPSRFBFGX-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.80
Rot. Bonds7

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

N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1333249) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1333249
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-8-12-19(13-9-16)31(28,29)26(21-6-4-5-7-22(21)30-3)15-23(27)25-18-11-10-17(2)20(24)14-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyJSTNAVPSRFBFGX-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1333249) is N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JSTNAVPSRFBFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-8-12-19(13-9-16)31(28,29)26(21-6-4-5-7-22(21)30-3)15-23(27)25-18-11-10-17(2)20(24)14-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1333249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).