2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid

C16H18N2O6S — CID 120702247

IUPAC2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-9-8-12(18-14(19)11-4-3-6-24-11)25-13(9)15(20)17-10(16(21)22)5-7-23-2/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUBHYIMNHWAHOEH-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.12
Rot. Bonds8

About 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid

2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 120702247) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID120702247
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-9-8-12(18-14(19)11-4-3-6-24-11)25-13(9)15(20)17-10(16(21)22)5-7-23-2/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUBHYIMNHWAHOEH-UHFFFAOYSA-N
XLogP2.12
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid with MolForge

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Related Compounds

N-[5-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 32954737
N-[4-methyl-5-(3-propan-2-yloxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 55488982
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[1-(4-chlorophenyl)propylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 42932542
N-[5-[1-(2-methoxyphenyl)ethyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55579377
N-[5-[[6-(2-methoxyethoxy)-3-pyridinyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55744413
N-[5-[(2,4-dimethylphenyl)methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46587658
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207
N-[4-methyl-5-[(4-propan-2-yloxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55588228

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid (CID 120702247) is 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)O.
What is the InChIKey of 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is UBHYIMNHWAHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-9-8-12(18-14(19)11-4-3-6-24-11)25-13(9)15(20)17-10(16(21)22)5-7-23-2/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid?
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 366.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).