N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C20H25N3O4S — CID 9305406

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-19(24)13-23(4)20(25)16-9-11-17(12-10-16)28(26,27)22-18-8-6-5-7-15(18)3/h5-12,14,22H,13H2,1-4H3,(H,21,24)
InChIKeyBVJUZAVQYMKKGG-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.39
Rot. Bonds7

About N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9305406) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9305406
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NC(C)C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)21-19(24)13-23(4)20(25)16-9-11-17(12-10-16)28(26,27)22-18-8-6-5-7-15(18)3/h5-12,14,22H,13H2,1-4H3,(H,21,24)
InChIKeyBVJUZAVQYMKKGG-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 60571008
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9305972
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55561483
N-ethyl-N-(2-hydroxyethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 78796489

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9305406) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NC(C)C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is BVJUZAVQYMKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)21-19(24)13-23(4)20(25)16-9-11-17(12-10-16)28(26,27)22-18-8-6-5-7-15(18)3/h5-12,14,22H,13H2,1-4H3,(H,21,24).
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9305406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).