N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide

C11H15N3O4S — CID 173077948

IUPACN'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
SMILESCC(C(N)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15N3O4S/c1-7(10(12)15)11(16)13-8-3-5-9(6-4-8)14-19(2,17)18/h3-7,14H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyNOBKMIJPULUKPS-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.12
Rot. Bonds5

About N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide

N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide (PubChem CID 173077948) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide.

Molecular Properties

Compound NameN'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
PubChem CID173077948
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC NameN'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
SMILESCC(C(N)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H15N3O4S/c1-7(10(12)15)11(16)13-8-3-5-9(6-4-8)14-19(2,17)18/h3-7,14H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyNOBKMIJPULUKPS-UHFFFAOYSA-N
XLogP0.12
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 61173370
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
4-chloro-N-[1-[4-(methanesulfonamido)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46521295
N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
CID 23454955
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
CID 142686883

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide?
The IUPAC name of N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide (CID 173077948) is N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide.
What is the SMILES notation for N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide?
The canonical SMILES for N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide is CC(C(N)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide?
The InChIKey is NOBKMIJPULUKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7(10(12)15)11(16)13-8-3-5-9(6-4-8)14-19(2,17)18/h3-7,14H,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide?
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide has a molecular weight of 285.33 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide is sourced from PubChem (CID 173077948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).