3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid

C12H18N2O5S2 — CID 119249234

IUPAC3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-12(2,11(16)17)7-13-10(15)9-8(5-6-20-9)21(18,19)14(3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyZGXVGBCAXRSVOR-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.84
Rot. Bonds6

About 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249234) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249234
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-12(2,11(16)17)7-13-10(15)9-8(5-6-20-9)21(18,19)14(3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyZGXVGBCAXRSVOR-UHFFFAOYSA-N
XLogP0.84
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119392093
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
3-(dimethylsulfamoyl)-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119461586
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249274
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 119249234) is 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid is CN(C)S(=O)(=O)c1ccsc1C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is ZGXVGBCAXRSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-12(2,11(16)17)7-13-10(15)9-8(5-6-20-9)21(18,19)14(3)4/h5-6H,7H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 334.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).