N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide

C21H25N3O4S — CID 20919053

IUPACN-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-16(21(25)22-15-18-6-5-13-28-18)24-12-9-17-14-19(7-8-20(17)24)29(26,27)23-10-3-2-4-11-23/h5-9,12-14,16H,2-4,10-11,15H2,1H3,(H,22,25)
InChIKeyVOIUZKSUEDVEPT-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide

N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 20919053) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID20919053
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-16(21(25)22-15-18-6-5-13-28-18)24-12-9-17-14-19(7-8-20(17)24)29(26,27)23-10-3-2-4-11-23/h5-9,12-14,16H,2-4,10-11,15H2,1H3,(H,22,25)
InChIKeyVOIUZKSUEDVEPT-UHFFFAOYSA-N
XLogP3.29
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide (CID 20919053) is N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide is CC(C(=O)NCc1ccco1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is VOIUZKSUEDVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(21(25)22-15-18-6-5-13-28-18)24-12-9-17-14-19(7-8-20(17)24)29(26,27)23-10-3-2-4-11-23/h5-9,12-14,16H,2-4,10-11,15H2,1H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide?
N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 415.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 20919053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).