N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H25N3O4 — CID 41130825

IUPACN-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H25N3O4/c1-16-8-9-17(14-18(16)25-23(28)21-7-5-13-30-21)22(27)24-15-19(20-6-4-12-29-20)26-10-2-3-11-26/h4-9,12-14,19H,2-3,10-11,15H2,1H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyQQTQNLALPPEXFS-IBGZPJMESA-N
MW407.47 g/mol
LogP4.00
Rot. Bonds7

About N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 41130825) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID41130825
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H25N3O4/c1-16-8-9-17(14-18(16)25-23(28)21-7-5-13-30-21)22(27)24-15-19(20-6-4-12-29-20)26-10-2-3-11-26/h4-9,12-14,19H,2-3,10-11,15H2,1H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyQQTQNLALPPEXFS-IBGZPJMESA-N
XLogP4.00
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 41130825) is N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is QQTQNLALPPEXFS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-8-9-17(14-18(16)25-23(28)21-7-5-13-30-21)22(27)24-15-19(20-6-4-12-29-20)26-10-2-3-11-26/h4-9,12-14,19H,2-3,10-11,15H2,1H3,(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 41130825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).