methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O3S — CID 24818733

IUPACmethyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H16N2O3S/c1-9-5-4-6-11(10(9)2)16-15(19)17-12-7-8-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyCTIOYVKAHVQOPM-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.80
Rot. Bonds3

About methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24818733) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24818733
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C15H16N2O3S/c1-9-5-4-6-11(10(9)2)16-15(19)17-12-7-8-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyCTIOYVKAHVQOPM-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
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
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 970042
Methyl 3-{[(4-fluoroanilino)carbonyl]amino}-2-thiophenecarboxylate
CID 11837143
Methyl 3-{[(3,4-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818731
Methyl 3-{[(4-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818738
Methyl 3-{[(3,5-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24819112
Methyl 3-[(anilinocarbonothioyl)amino]thiophene-2-carboxylate
CID 6621269
Methyl 3-({[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-2-carboxylate
CID 12005376

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24818733) is methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cccc(C)c1C.
What is the InChIKey of methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is CTIOYVKAHVQOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-5-4-6-11(10(9)2)16-15(19)17-12-7-8-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,3-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24818733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).