2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H19N3O3S — CID 61127954

IUPAC2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyHLIYRYBCNMMADT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.41
Rot. Bonds5

About 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 61127954) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID61127954
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyHLIYRYBCNMMADT-UHFFFAOYSA-N
XLogP0.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.41
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-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-propan-2-ylacetamide
CID 8815778
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049077
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
2-[(5-amino-4-bromo-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114625351
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 8815605
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 114379201

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 61127954) is 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is HLIYRYBCNMMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-5-10(13)7-11/h4-7,9H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61127954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).