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

C16H16N2O5S — CID 119195335

IUPAC2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H16N2O5S/c1-9-7-12(17-15(21)11-3-2-6-23-11)24-14(9)16(22)18(8-13(19)20)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyVPWWCQIKAWKCIV-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.59
Rot. Bonds6

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

2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid (PubChem CID 119195335) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
PubChem CID119195335
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C16H16N2O5S/c1-9-7-12(17-15(21)11-3-2-6-23-11)24-14(9)16(22)18(8-13(19)20)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyVPWWCQIKAWKCIV-UHFFFAOYSA-N
XLogP2.59
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193298
N-[4-methyl-5-[methyl(piperidin-4-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119442590
N-[4-methyl-5-[methyl(pyrrolidin-3-yl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119551954
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
cis-(1R,3S)-3-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677533
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[2-(cyclohexanecarbonylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55806058
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
N-[4-methyl-5-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86833515

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid (CID 119195335) is 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid?
The InChIKey is VPWWCQIKAWKCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-7-12(17-15(21)11-3-2-6-23-11)24-14(9)16(22)18(8-13(19)20)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid?
2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid has a molecular weight of 348.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119195335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).