1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid

C16H16N2O5S — CID 119354056

IUPAC1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C16H16N2O5S/c1-9-7-12(17-14(19)11-3-2-6-23-11)24-13(9)15(20)18-5-4-10(8-18)16(21)22/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyCDXALVZAGFGKLO-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid

1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354056) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119354056
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C16H16N2O5S/c1-9-7-12(17-14(19)11-3-2-6-23-11)24-13(9)15(20)18-5-4-10(8-18)16(21)22/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyCDXALVZAGFGKLO-UHFFFAOYSA-N
XLogP2.45
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248743
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 42940713
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482
N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119650096
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 30093964

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 119354056) is 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CDXALVZAGFGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-7-12(17-14(19)11-3-2-6-23-11)24-13(9)15(20)18-5-4-10(8-18)16(21)22/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid?
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 348.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).