methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O4S — CID 24818492

IUPACmethyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H16N2O4S/c1-9-4-5-12(20-2)11(8-9)17-15(19)16-10-6-7-22-13(10)14(18)21-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyDSJFNXVQRMRTMQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.50
Rot. Bonds4

About methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24818492) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24818492
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H16N2O4S/c1-9-4-5-12(20-2)11(8-9)17-15(19)16-10-6-7-22-13(10)14(18)21-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyDSJFNXVQRMRTMQ-UHFFFAOYSA-N
XLogP3.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-{[(2-methoxy-5-methylphenyl)carbamothioyl]amino}thiophene-2-carboxylate
CID 16193785
Methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
CID 17284901
Methyl 3-{[(4-methoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818490
Methyl 3-{[(3,5-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24819112
Ethyl 3-(acetylamino)-5-(4-methoxyphenyl)-2-thiophenecarboxylate
CID 793387
3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 844198
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895
Ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
CID 2103181
Methyl 3-{[2-(4-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 3815224
Methyl 3-{[(3-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 6466938
1-(2-Methoxy-5-methylphenyl)-3-propyl-3-[(thiophen-2-YL)methyl]urea
CID 16016690

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24818492) is methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is DSJFNXVQRMRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-4-5-12(20-2)11(8-9)17-15(19)16-10-6-7-22-13(10)14(18)21-3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24818492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).