(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide

C21H18N2O4 — CID 1091523

IUPAC(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-14(21(25)22-12-15-6-4-10-26-15)23-13-17(16-7-2-3-8-18(16)23)20(24)19-9-5-11-27-19/h2-11,13-14H,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyMSIZTGSXAQSJIZ-AWEZNQCLSA-N
MW362.39 g/mol
LogP3.94
Rot. Bonds6

About (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1091523) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID1091523
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C21H18N2O4/c1-14(21(25)22-12-15-6-4-10-26-15)23-13-17(16-7-2-3-8-18(16)23)20(24)19-9-5-11-27-19/h2-11,13-14H,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyMSIZTGSXAQSJIZ-AWEZNQCLSA-N
XLogP3.94
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101
N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
1-(furan-2-ylmethyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 972013
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516
(2S)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 98278843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide (CID 1091523) is (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide is C[C@@H](C(=O)NCc1ccco1)n1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is MSIZTGSXAQSJIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-14(21(25)22-12-15-6-4-10-26-15)23-13-17(16-7-2-3-8-18(16)23)20(24)19-9-5-11-27-19/h2-11,13-14H,12H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide?
(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 362.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1091523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).