4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H20N2O5S — CID 119230122

IUPAC4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H20N2O5S/c1-10-9-14(20-16(21)13-3-2-8-25-13)26-15(10)17(22)19-12-6-4-11(5-7-12)18(23)24/h2-3,8-9,11-12H,4-7H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWRVZINCUNAVVRZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.28
Rot. Bonds5

About 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230122) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230122
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H20N2O5S/c1-10-9-14(20-16(21)13-3-2-8-25-13)26-15(10)17(22)19-12-6-4-11(5-7-12)18(23)24/h2-3,8-9,11-12H,4-7H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyWRVZINCUNAVVRZ-UHFFFAOYSA-N
XLogP3.28
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[[4-(cyclopropylsulfamoyl)phenyl]methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55846633
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
2-[1-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclobutyl]acetic acid
CID 119217971

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119230122) is 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WRVZINCUNAVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-10-9-14(20-16(21)13-3-2-8-25-13)26-15(10)17(22)19-12-6-4-11(5-7-12)18(23)24/h2-3,8-9,11-12H,4-7H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).