2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid

C12H18N2O5S2 — CID 43357412

IUPAC2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-7(2)6-9(14-21(3,18)19)10(15)13-11-8(12(16)17)4-5-20-11/h4-5,7,9,14H,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyTWPCOAWLGORTFN-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.35
Rot. Bonds7

About 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid

2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid (PubChem CID 43357412) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid
PubChem CID43357412
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-7(2)6-9(14-21(3,18)19)10(15)13-11-8(12(16)17)4-5-20-11/h4-5,7,9,14H,6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyTWPCOAWLGORTFN-UHFFFAOYSA-N
XLogP1.35
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoylamino]thiophene-3-carboxylic acid
CID 63114207
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238
2-[2-(2-methylpropanoylamino)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114347
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
CID 2553970
2-[3-(methanesulfonamido)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 106340230
2-(5-methylhexylcarbamoylamino)thiophene-3-carboxylic acid
CID 115326341
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid (CID 43357412) is 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid is CC(C)CC(NS(C)(=O)=O)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is TWPCOAWLGORTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-7(2)6-9(14-21(3,18)19)10(15)13-11-8(12(16)17)4-5-20-11/h4-5,7,9,14H,6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid?
2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).