3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide

C12H19N3O3S — CID 106098324

IUPAC3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-19(17,18)10-7-5-4-6-9(10)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyVPMRCUYNAIJOGD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds6

About 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide

3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide (PubChem CID 106098324) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
PubChem CID106098324
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
SMILESCNc1ccccc1S(=O)(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-19(17,18)10-7-5-4-6-9(10)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyVPMRCUYNAIJOGD-UHFFFAOYSA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
CID 106097032
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
3-[(5-amino-2-ethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095517
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
3-(2-amino-3-methylsulfonylanilino)-3-methylbutanamide
CID 106095627
3-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095460
N-[2-[[2-(methylamino)phenyl]sulfonylamino]ethyl]acetamide
CID 55043683
3-[(2-chloro-4-cyanophenyl)sulfonylamino]-3-methylbutanamide
CID 104600873
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
3-[[4-(aminomethyl)-3-chlorophenyl]sulfonylamino]-3-methylbutanamide
CID 106096174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide?
The IUPAC name of 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide (CID 106098324) is 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide?
The canonical SMILES for 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide is CNc1ccccc1S(=O)(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide?
The InChIKey is VPMRCUYNAIJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-19(17,18)10-7-5-4-6-9(10)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16).
What are the key properties of 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide?
3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 106098324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).