2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide

C11H17N3O3S — CID 54950915

IUPAC2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H17N3O3S/c1-7-5-4-6-9(12)10(7)18(16,17)14-8(2)11(15)13-3/h4-6,8,14H,12H2,1-3H3,(H,13,15)
InChIKeyPBPNPXWRQDKXFQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.01
Rot. Bonds4

About 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide

2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 54950915) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID54950915
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H17N3O3S/c1-7-5-4-6-9(12)10(7)18(16,17)14-8(2)11(15)13-3/h4-6,8,14H,12H2,1-3H3,(H,13,15)
InChIKeyPBPNPXWRQDKXFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
CID 113498913
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 103171744
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide (CID 54950915) is 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is PBPNPXWRQDKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-5-4-6-9(12)10(7)18(16,17)14-8(2)11(15)13-3/h4-6,8,14H,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide?
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 271.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 54950915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).