2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

C20H26N2O5S — CID 132662747

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-18(20(23)21-17-9-7-8-10-19(17)26-3)22(28(4,24)25)15-11-13-16(14-12-15)27-6-2/h7-14,18H,5-6H2,1-4H3,(H,21,23)
InChIKeyBKQHBMXQJYYEIY-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.28
Rot. Bonds9

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (PubChem CID 132662747) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
PubChem CID132662747
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCCOc1ccc(N(C(CC)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O5S/c1-5-18(20(23)21-17-9-7-8-10-19(17)26-3)22(28(4,24)25)15-11-13-16(14-12-15)27-6-2/h7-14,18H,5-6H2,1-4H3,(H,21,23)
InChIKeyBKQHBMXQJYYEIY-UHFFFAOYSA-N
XLogP3.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132672211
methyl 3-[2-(4-ethoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674395
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934
2-(N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53282937
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 132667588
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333410
N-(2,4-dimethoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 2910799
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]butanamide
CID 125044173
ethyl 3-[2-(4-methoxy-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate
CID 132674389
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284231
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100542215

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (CID 132662747) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is CCOc1ccc(N(C(CC)C(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The InChIKey is BKQHBMXQJYYEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-5-18(20(23)21-17-9-7-8-10-19(17)26-3)22(28(4,24)25)15-11-13-16(14-12-15)27-6-2/h7-14,18H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide has a molecular weight of 406.50 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 132662747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).