4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide

C19H22N2O4S — CID 110606798

IUPAC4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-5-6-10-17(15)18(22)11-12-19(23)20-13-14-26(24,25)21-16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,23)
InChIKeyVJUUDIXTYWAJBO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.52
Rot. Bonds9

About 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide

4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide (PubChem CID 110606798) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
PubChem CID110606798
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-15-7-5-6-10-17(15)18(22)11-12-19(23)20-13-14-26(24,25)21-16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,23)
InChIKeyVJUUDIXTYWAJBO-UHFFFAOYSA-N
XLogP2.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 49018701
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
2-(4-methoxyphenyl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601294
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 110676266
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110411613
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
3-cyclopropyl-3-(4-methylphenyl)-N-[2-(phenylsulfamoyl)ethyl]propanamide
CID 110615734

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide (CID 110606798) is 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide is Cc1ccccc1C(=O)CCC(=O)NCCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
The InChIKey is VJUUDIXTYWAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15-7-5-6-10-17(15)18(22)11-12-19(23)20-13-14-26(24,25)21-16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,23).
What are the key properties of 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide?
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide has a molecular weight of 374.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 110606798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).