methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate

C14H14N2O3S — CID 1488163

IUPACmethyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-9-8-20-12(13(17)19-2)11(9)16-14(18)15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyHVJHREZTZXYSNR-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.49
Rot. Bonds3

About methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate (PubChem CID 1488163) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
PubChem CID1488163
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2O3S/c1-9-8-20-12(13(17)19-2)11(9)16-14(18)15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyHVJHREZTZXYSNR-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 5-tert-butyl-3-(3-phenylureido)thiophene-2-carboxylate
CID 4163701
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
4,5-Dimethyl-2-(3-phenyl-thioureido)-thiophene-3-carboxylic acid ethyl ester
CID 809896
Ethyl 3-methyl-5-[(phenylcarbamoyl)amino]thiophene-2-carboxylate
CID 2359669
Methyl 3-[(cyclohexylcarbamoyl)amino]thiophene-2-carboxylate
CID 896453
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 970042
Methyl 3-{[(3-nitrophenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 2211094
Methyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-4-methylthiophene-2-carboxylate
CID 2808335

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate (CID 1488163) is methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)Nc1ccccc1.
What is the InChIKey of methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
The InChIKey is HVJHREZTZXYSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-8-20-12(13(17)19-2)11(9)16-14(18)15-10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,15,16,18).
What are the key properties of methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 1488163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).