methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O5S — CID 17284901

IUPACmethyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H16N2O5S/c1-20-9-4-5-12(21-2)11(8-9)17-15(19)16-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyXDRZKTXDXQTFJB-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.20
Rot. Bonds5

About methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 17284901) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID17284901
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H16N2O5S/c1-20-9-4-5-12(21-2)11(8-9)17-15(19)16-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyXDRZKTXDXQTFJB-UHFFFAOYSA-N
XLogP3.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-{[(3,4-dimethoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 972050
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2908119
Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
CID 3659340
Methyl 3-{[(2-methoxy-5-methylphenyl)carbamothioyl]amino}thiophene-2-carboxylate
CID 16193785
Methyl 3-{[(4-methoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818490
Methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
CID 24818492
N-(2,5-dimethoxyphenyl)-2-(2-thienyl)acetamide
CID 531788
N-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}thiophene-2-carboxamide
CID 934503
Thiophene-2-carboxylic acid [2,5-diethoxy-4-(3-isobutyl-thioureido)-phenyl]-amide
CID 1172883
N-[2,5-diethoxy-4-[[ethylamino(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
CID 1172884
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 1428109
N-{[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl}thiophene-2-carboxamide
CID 2181057

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 17284901) is methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is XDRZKTXDXQTFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-20-9-4-5-12(21-2)11(8-9)17-15(19)16-10-6-7-23-13(10)14(18)22-3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 17284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).