methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate

C19H16N2O5S — CID 55876306

IUPACmethyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H16N2O5S/c1-11-5-6-12(10-14(11)20-17(23)15-4-3-8-26-15)16(22)21-18-13(7-9-27-18)19(24)25-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOJCVYBSBJZAYFI-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.94
Rot. Bonds5

About methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate

methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate (PubChem CID 55876306) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
PubChem CID55876306
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Namemethyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H16N2O5S/c1-11-5-6-12(10-14(11)20-17(23)15-4-3-8-26-15)16(22)21-18-13(7-9-27-18)19(24)25-2/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyOJCVYBSBJZAYFI-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

(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
[(1R)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605458
ethyl 4-cyano-5-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]-3-methylthiophene-2-carboxylate
CID 55336883
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate (CID 55876306) is methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate?
The InChIKey is OJCVYBSBJZAYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11-5-6-12(10-14(11)20-17(23)15-4-3-8-26-15)16(22)21-18-13(7-9-27-18)19(24)25-2/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate?
methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]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-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55876306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).