2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid

C17H18N2O6S — CID 119248743

IUPAC2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H18N2O6S/c1-10-7-13(18-16(22)12-3-2-5-25-12)26-15(10)17(23)19-4-6-24-11(9-19)8-14(20)21/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyQYJBXHMXNLPPDP-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid

2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248743) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248743
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C17H18N2O6S/c1-10-7-13(18-16(22)12-3-2-5-25-12)26-15(10)17(23)19-4-6-24-11(9-19)8-14(20)21/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyQYJBXHMXNLPPDP-UHFFFAOYSA-N
XLogP2.22
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
CID 119217971
N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
N-[5-(2-cyclopentylpyrrolidine-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide
CID 71889888
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[4-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119650096
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
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid (CID 119248743) is 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is QYJBXHMXNLPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-10-7-13(18-16(22)12-3-2-5-25-12)26-15(10)17(23)19-4-6-24-11(9-19)8-14(20)21/h2-3,5,7,11H,4,6,8-9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 378.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).