N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide

C23H24N2O4 — CID 1469017

IUPACN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-10-12-18(13-11-16)25(23(27)20-9-5-15-29-20)21(19-8-4-14-28-19)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyILMWZDSKYHSHLW-NRFANRHFSA-N
MW392.46 g/mol
LogP4.63
Rot. Bonds6

About N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 1469017) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID1469017
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-10-12-18(13-11-16)25(23(27)20-9-5-15-29-20)21(19-8-4-14-28-19)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyILMWZDSKYHSHLW-NRFANRHFSA-N
XLogP4.63
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196629
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 1469023
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
CID 1441925
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3191266
N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211398
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211386
N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3191433
N-[2-(N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211721

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide (CID 1469017) is N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is ILMWZDSKYHSHLW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-10-12-18(13-11-16)25(23(27)20-9-5-15-29-20)21(19-8-4-14-28-19)22(26)24-17-6-2-3-7-17/h4-5,8-15,17,21H,2-3,6-7H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide?
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).