2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide

C12H19N3O3S — CID 106343811

IUPAC2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,13H2,1-3H3,(H2,14,16)
InChIKeyPDZXVMGQKMRYSC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide

2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106343811) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106343811
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,13H2,1-3H3,(H2,14,16)
InChIKeyPDZXVMGQKMRYSC-UHFFFAOYSA-N
XLogP0.37
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.37
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-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
2-[(2-amino-4-nitrophenyl)sulfonylamino]-3-methylbutanamide
CID 106347100
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914
2-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343847
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 114176438
2-(4-amino-3-methylphenyl)sulfonylbutanamide
CID 81182268

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide (CID 106343811) is 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide is Cc1cc(S(=O)(=O)NC(C(N)=O)C(C)C)ccc1N.
What is the InChIKey of 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is PDZXVMGQKMRYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)11(12(14)16)15-19(17,18)9-4-5-10(13)8(3)6-9/h4-7,11,15H,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide?
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 285.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106343811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).