methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

C19H16N2O5S — CID 1130436

IUPACmethyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C19H16N2O5S/c1-11-14(19(24)25-2)18(21-16(22)13-9-6-10-26-13)27-15(11)17(23)20-12-7-4-3-5-8-12/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyLOUUTPWQAQYNGM-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.94
Rot. Bonds5

About methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (PubChem CID 1130436) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
PubChem CID1130436
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Namemethyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C19H16N2O5S/c1-11-14(19(24)25-2)18(21-16(22)13-9-6-10-26-13)27-15(11)17(23)20-12-7-4-3-5-8-12/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyLOUUTPWQAQYNGM-UHFFFAOYSA-N
XLogP3.94
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(furan-2-carbonylamino)-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131163
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 5-[(4-ethoxyphenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1131605
ethyl 2-(furan-2-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3117483
methyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19579270
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1221585
methyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 5011081
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
methyl 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 52638589
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
methyl 2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 969300
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (CID 1130436) is methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is LOUUTPWQAQYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11-14(19(24)25-2)18(21-16(22)13-9-6-10-26-13)27-15(11)17(23)20-12-7-4-3-5-8-12/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 1130436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).