propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

C24H25ClN2O6S — CID 19457063

IUPACpropyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C24H25ClN2O6S/c1-5-12-31-24(30)19-14(2)20(23(29)27(3)4)34-22(19)26-21(28)18-11-10-15(33-18)13-32-17-9-7-6-8-16(17)25/h6-11H,5,12-13H2,1-4H3,(H,26,28)
InChIKeyKVUFBZRLVJXQCX-UHFFFAOYSA-N
MW504.99 g/mol
LogP5.40
Rot. Bonds9

About propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (PubChem CID 19457063) has the molecular formula C24H25ClN2O6S and a molecular weight of 504.99 g/mol. Its IUPAC name is propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
PubChem CID19457063
Molecular FormulaC24H25ClN2O6S
Molecular Weight504.99 g/mol
Exact Mass504.11
IUPAC Namepropyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C24H25ClN2O6S/c1-5-12-31-24(30)19-14(2)20(23(29)27(3)4)34-22(19)26-21(28)18-11-10-15(33-18)13-32-17-9-7-6-8-16(17)25/h6-11H,5,12-13H2,1-4H3,(H,26,28)
InChIKeyKVUFBZRLVJXQCX-UHFFFAOYSA-N
XLogP5.40
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.99
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

propyl 5-(dimethylcarbamoyl)-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448783
2-O-ethyl 4-O-propyl 5-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19452922
2-O-ethyl 4-O-propyl 5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19459262
2-O-ethyl 4-O-propyl 3-methyl-5-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19415497
2-O-methyl 4-O-propyl 5-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19461823
propyl 5-carbamoyl-4-methyl-2-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19448780
2-O-methyl 4-O-propyl 5-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19452674
2-O-ethyl 4-O-propyl 3-methyl-5-[[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19461383
ethyl 5-carbamoyl-4-methyl-2-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19412872
dimethyl 5-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19467511
ethyl 5-carbamoyl-2-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19459267
ethyl 2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19463739

Frequently Asked Questions

What is the IUPAC name of propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CID 19457063) is propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is CCCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The InChIKey is KVUFBZRLVJXQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O6S/c1-5-12-31-24(30)19-14(2)20(23(29)27(3)4)34-22(19)26-21(28)18-11-10-15(33-18)13-32-17-9-7-6-8-16(17)25/h6-11H,5,12-13H2,1-4H3,(H,26,28).
What are the key properties of propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate?
propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate has a molecular weight of 504.99 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 19457063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).