N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

C18H21ClN2O4S — CID 1107797

IUPACN-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-25-16-9-7-15(8-10-16)21(26(3,23)24)12-18(22)20-14-6-5-13(2)17(19)11-14/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyUAQSRVSWHMFRAX-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.45
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1107797) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1107797
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-25-16-9-7-15(8-10-16)21(26(3,23)24)12-18(22)20-14-6-5-13(2)17(19)11-14/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyUAQSRVSWHMFRAX-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.45
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-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 1107797) is N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is UAQSRVSWHMFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-25-16-9-7-15(8-10-16)21(26(3,23)24)12-18(22)20-14-6-5-13(2)17(19)11-14/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.45, 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-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).