2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

C11H17N3O3S — CID 43374780

IUPAC2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(12)4-5-10(8)18(16,17)14(3)7-11(15)13-2/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyXPYUVLSWGGZUCD-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide

2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43374780) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43374780
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C11H17N3O3S/c1-8-6-9(12)4-5-10(8)18(16,17)14(3)7-11(15)13-2/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyXPYUVLSWGGZUCD-UHFFFAOYSA-N
XLogP-0.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 79589010
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374774
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide (CID 43374780) is 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is XPYUVLSWGGZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-6-9(12)4-5-10(8)18(16,17)14(3)7-11(15)13-2/h4-6H,7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 271.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).