4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

C19H23ClN2O5S — CID 53281074

IUPAC4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O5S/c1-26-17-11-10-14(13-15(17)20)22(28(3,24)25)12-6-9-19(23)21-16-7-4-5-8-18(16)27-2/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,23)
InChIKeyQORRDZNCVHYTAZ-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.54
Rot. Bonds9

About 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (PubChem CID 53281074) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
PubChem CID53281074
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O5S/c1-26-17-11-10-14(13-15(17)20)22(28(3,24)25)12-6-9-19(23)21-16-7-4-5-8-18(16)27-2/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,23)
InChIKeyQORRDZNCVHYTAZ-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53280942
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100531525
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide
CID 19062091
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
CID 100582106
3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 113146908

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (CID 53281074) is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is COc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The InChIKey is QORRDZNCVHYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-26-17-11-10-14(13-15(17)20)22(28(3,24)25)12-6-9-19(23)21-16-7-4-5-8-18(16)27-2/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,23).
What are the key properties of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide has a molecular weight of 426.92 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 53281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).