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

C22H22N2O5S — CID 55872647

IUPACmethyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H22N2O5S/c1-13(2)10-15-12-30-21(18(15)22(27)28-3)24-19(25)14-6-4-7-16(11-14)23-20(26)17-8-5-9-29-17/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQCZONMPLWJLEAF-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.83
Rot. Bonds7

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

methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 55872647) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID55872647
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Namemethyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H22N2O5S/c1-13(2)10-15-12-30-21(18(15)22(27)28-3)24-19(25)14-6-4-7-16(11-14)23-20(26)17-8-5-9-29-17/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQCZONMPLWJLEAF-UHFFFAOYSA-N
XLogP4.83
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 4-(2-methylpropyl)-2-[[3-(oxolane-2-carbonylamino)benzoyl]amino]thiophene-3-carboxylate
CID 55645743
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
ethyl 4-(2-methylpropyl)-2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 18131623
1-phenylethyl 3-(furan-2-carbonylamino)benzoate
CID 78793343
methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
CID 2241755
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate (CID 55872647) is methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is QCZONMPLWJLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-13(2)10-15-12-30-21(18(15)22(27)28-3)24-19(25)14-6-4-7-16(11-14)23-20(26)17-8-5-9-29-17/h4-9,11-13H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 426.49 g/mol, XLogP of 4.83, 7 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)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 55872647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).