2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C13H14N2O3S2 — CID 63114407

IUPAC2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCC(c1cccs1)N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-8(10-4-3-6-19-10)15(2)13(18)14-11-9(12(16)17)5-7-20-11/h3-8H,1-2H3,(H,14,18)(H,16,17)
InChIKeyINLHHMWJJXKCLR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.73
Rot. Bonds4

About 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114407) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114407
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCC(c1cccs1)N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-8(10-4-3-6-19-10)15(2)13(18)14-11-9(12(16)17)5-7-20-11/h3-8H,1-2H3,(H,14,18)(H,16,17)
InChIKeyINLHHMWJJXKCLR-UHFFFAOYSA-N
XLogP3.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114027
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 112662438
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
methyl 3-methyl-5-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]-1,2-thiazole-4-carboxylate
CID 47065534
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63114798

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114407) is 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid is CC(c1cccs1)N(C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is INLHHMWJJXKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8(10-4-3-6-19-10)15(2)13(18)14-11-9(12(16)17)5-7-20-11/h3-8H,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).