ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate

C12H18N2O3S — CID 63616856

IUPACethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
SMILESCCCNC(=O)Nc1sc(C)cc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-4-6-13-12(16)14-10-9(7-8(3)18-10)11(15)17-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyZKODXWUNFAKXPV-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.76
Rot. Bonds5

About ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate (PubChem CID 63616856) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
PubChem CID63616856
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
SMILESCCCNC(=O)Nc1sc(C)cc1C(=O)OCC
InChIInChI=1S/C12H18N2O3S/c1-4-6-13-12(16)14-10-9(7-8(3)18-10)11(15)17-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16)
InChIKeyZKODXWUNFAKXPV-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
6-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-6-oxohexanoic acid
CID 63618723
ethyl 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-5-methylthiophene-3-carboxylate
CID 63618206
ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
ethyl 2-[(2,4-diamino-4-oxobutanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616688

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate (CID 63616856) is ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate is CCCNC(=O)Nc1sc(C)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate?
The InChIKey is ZKODXWUNFAKXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-6-13-12(16)14-10-9(7-8(3)18-10)11(15)17-5-2/h7H,4-6H2,1-3H3,(H2,13,14,16).
What are the key properties of ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 63616856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).