2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide

C11H17N3O3S — CID 103101019

IUPAC2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C11H17N3O3S/c1-3-14(7-11(13)15)18(16,17)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,15)
InChIKeyGESMVUDNIOAKSC-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.07
Rot. Bonds5

About 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide

2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 103101019) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID103101019
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C11H17N3O3S/c1-3-14(7-11(13)15)18(16,17)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,15)
InChIKeyGESMVUDNIOAKSC-UHFFFAOYSA-N
XLogP0.07
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.07
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-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
CID 103101779

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide (CID 103101019) is 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is GESMVUDNIOAKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-14(7-11(13)15)18(16,17)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide?
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 103101019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).