4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide

C12H18N2O3S — CID 81183828

IUPAC4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-5-6-10(13)11(8-9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyNPHLICSUOVNNLG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.88
Rot. Bonds5

About 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide

4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide (PubChem CID 81183828) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
PubChem CID81183828
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-9-5-6-10(13)11(8-9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyNPHLICSUOVNNLG-UHFFFAOYSA-N
XLogP0.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.88
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

4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
3-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81183138
4-methyl-2-nonylsulfonylaniline
CID 81184082
4-methyl-2-(4,4,4-trifluorobutylsulfonyl)aniline
CID 115519811
4-(2-amino-6-chlorophenyl)sulfonyl-N-methylbutanamide
CID 81182283
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]aniline
CID 112592654
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916
2-(2-amino-5-methylphenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81183653
4-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81206613
2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide
CID 81183484

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide?
The IUPAC name of 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide (CID 81183828) is 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide.
What is the SMILES notation for 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide?
The canonical SMILES for 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide is CNC(=O)CCCS(=O)(=O)c1cc(C)ccc1N.
What is the InChIKey of 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide?
The InChIKey is NPHLICSUOVNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-5-6-10(13)11(8-9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide?
4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide has a molecular weight of 270.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide is sourced from PubChem (CID 81183828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).