2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid

C17H18N2O5S — CID 119217971

IUPAC2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H18N2O5S/c1-10-8-12(18-15(22)11-4-2-7-24-11)25-14(10)16(23)19-17(5-3-6-17)9-13(20)21/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyFEMJOXCFOREHSU-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.03
Rot. Bonds6

About 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119217971) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119217971
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C17H18N2O5S/c1-10-8-12(18-15(22)11-4-2-7-24-11)25-14(10)16(23)19-17(5-3-6-17)9-13(20)21/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyFEMJOXCFOREHSU-UHFFFAOYSA-N
XLogP3.03
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
CID 79849169
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
2-[4-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248743

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid (CID 119217971) is 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is FEMJOXCFOREHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-8-12(18-15(22)11-4-2-7-24-11)25-14(10)16(23)19-17(5-3-6-17)9-13(20)21/h2,4,7-8H,3,5-6,9H2,1H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 362.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).