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

C12H19N3O3S — CID 61138984

IUPAC2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)8-15(3)19(17,18)11-6-5-9(2)7-10(11)13/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyAQMBSERMYUUDRM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.33
Rot. Bonds5

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

2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 61138984) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID61138984
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)8-15(3)19(17,18)11-6-5-9(2)7-10(11)13/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyAQMBSERMYUUDRM-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
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-methylamino]-N-ethylacetamide
CID 55134560
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
methyl 2-[(2-amino-4-methylphenyl)sulfonyl-ethylamino]acetate
CID 54998555
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
2-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139363
N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 79930666
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide (CID 61138984) is 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is AQMBSERMYUUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14-12(16)8-15(3)19(17,18)11-6-5-9(2)7-10(11)13/h5-7H,4,8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 61138984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).