4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid

C14H20N2O4S — CID 82731124

IUPAC4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N(C)C2CCOC2C)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-9(3)21-12(11(7)13(17)18)15-14(19)16(4)10-5-6-20-8(10)2/h8,10H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyAMTSUMJQHZBIHW-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.70
Rot. Bonds3

About 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 82731124) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID82731124
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N(C)C2CCOC2C)c(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4S/c1-7-9(3)21-12(11(7)13(17)18)15-14(19)16(4)10-5-6-20-8(10)2/h8,10H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyAMTSUMJQHZBIHW-UHFFFAOYSA-N
XLogP2.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[[methyl(thiolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114068
4,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 63858985
4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 28858400
4,5-dimethyl-2-(oxane-2-carbonylamino)thiophene-3-carboxylic acid
CID 55047609
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114662
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
3-cyclohexyl-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 116657140
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(2-methyloxolan-3-yl)urea
CID 82747860
4,5-dimethyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 107414198
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 82731124) is 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid is Cc1sc(NC(=O)N(C)C2CCOC2C)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is AMTSUMJQHZBIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-7-9(3)21-12(11(7)13(17)18)15-14(19)16(4)10-5-6-20-8(10)2/h8,10H,5-6H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 82731124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).