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

C19H24N2O5S — CID 53288329

IUPAC4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-25-17-11-6-4-9-15(17)20-19(22)13-8-14-21(27(3,23)24)16-10-5-7-12-18(16)26-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22)
InChIKeyQJNZVYKIHSYDKY-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.89
Rot. Bonds9

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

4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (PubChem CID 53288329) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
PubChem CID53288329
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-25-17-11-6-4-9-15(17)20-19(22)13-8-14-21(27(3,23)24)16-10-5-7-12-18(16)26-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22)
InChIKeyQJNZVYKIHSYDKY-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (CID 53288329) is 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is COc1ccccc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The InChIKey is QJNZVYKIHSYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-17-11-6-4-9-15(17)20-19(22)13-8-14-21(27(3,23)24)16-10-5-7-12-18(16)26-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22).
What are the key properties of 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide has a molecular weight of 392.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 53288329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).