2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide

C12H20N2O3S2 — CID 78797888

IUPAC2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cc(C)sc1C)C(N)=O
InChIInChI=1S/C12H20N2O3S2/c1-5-7(2)11(12(13)15)14-19(16,17)10-6-8(3)18-9(10)4/h6-7,11,14H,5H2,1-4H3,(H2,13,15)
InChIKeyWINBURLJXIZOGL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.54
Rot. Bonds6

About 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide

2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide (PubChem CID 78797888) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
PubChem CID78797888
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cc(C)sc1C)C(N)=O
InChIInChI=1S/C12H20N2O3S2/c1-5-7(2)11(12(13)15)14-19(16,17)10-6-8(3)18-9(10)4/h6-7,11,14H,5H2,1-4H3,(H2,13,15)
InChIKeyWINBURLJXIZOGL-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933846
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
(2S)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935690
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936097
N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64542146
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide (CID 78797888) is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide is CCC(C)C(NS(=O)(=O)c1cc(C)sc1C)C(N)=O.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide?
The InChIKey is WINBURLJXIZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-5-7(2)11(12(13)15)14-19(16,17)10-6-8(3)18-9(10)4/h6-7,11,14H,5H2,1-4H3,(H2,13,15).
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide?
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide has a molecular weight of 304.44 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide is sourced from PubChem (CID 78797888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).