dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

C22H21NO8S — CID 19467511

IUPACdimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C(=O)OC)c1C
InChIInChI=1S/C22H21NO8S/c1-12-17(21(25)28-3)20(32-18(12)22(26)29-4)23-19(24)16-10-9-13(31-16)11-30-15-8-6-5-7-14(15)27-2/h5-10H,11H2,1-4H3,(H,23,24)
InChIKeySKNUGMBMETVJQC-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.06
Rot. Bonds8

About dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 19467511) has the molecular formula C22H21NO8S and a molecular weight of 459.48 g/mol. Its IUPAC name is dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID19467511
Molecular FormulaC22H21NO8S
Molecular Weight459.48 g/mol
Exact Mass459.10
IUPAC Namedimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C(=O)OC)c1C
InChIInChI=1S/C22H21NO8S/c1-12-17(21(25)28-3)20(32-18(12)22(26)29-4)23-19(24)16-10-9-13(31-16)11-30-15-8-6-5-7-14(15)27-2/h5-10H,11H2,1-4H3,(H,23,24)
InChIKeySKNUGMBMETVJQC-UHFFFAOYSA-N
XLogP4.06
TPSA113.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate with MolForge

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Related Compounds

2-O-ethyl 4-O-methyl 3-methyl-5-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19412857
dimethyl 5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19459255
ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19412872
2-O-ethyl 4-O-methyl 3-methyl-5-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19465609
2-O-methyl 4-O-propyl 5-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19452674
methyl 5-carbamoyl-4-methyl-2-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19455457
ethyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448786
ethyl 5-carbamoyl-2-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19449002
propyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448780
propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 19457063
2-O-methyl 4-O-propyl 5-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19461823
butan-2-yl 2-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19467546

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 19467511) is dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is SKNUGMBMETVJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO8S/c1-12-17(21(25)28-3)20(32-18(12)22(26)29-4)23-19(24)16-10-9-13(31-16)11-30-15-8-6-5-7-14(15)27-2/h5-10H,11H2,1-4H3,(H,23,24).
What are the key properties of dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 459.48 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 19467511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).