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

C19H24N2O4S — CID 53288629

IUPACN-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCOc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-15-9-4-6-11-17(15)21(26(3,23)24)14-8-13-19(22)20-16-10-5-7-12-18(16)25-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22)
InChIKeyNZTOBKBSTASIRO-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.19
Rot. Bonds8

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

N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53288629) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53288629
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCOc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S/c1-15-9-4-6-11-17(15)21(26(3,23)24)14-8-13-19(22)20-16-10-5-7-12-18(16)25-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22)
InChIKeyNZTOBKBSTASIRO-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
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
methyl 3-[4-(2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53288631
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288521
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide (CID 53288629) is N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide is COc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is NZTOBKBSTASIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-9-4-6-11-17(15)21(26(3,23)24)14-8-13-19(22)20-16-10-5-7-12-18(16)25-2/h4-7,9-12H,8,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide?
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 376.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53288629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).