N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide

C22H25N3O2S — CID 86266535

IUPACN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)CCSc2ccccc2)c2c1CCC2
InChIInChI=1S/C22H25N3O2S/c1-24-21-11-5-10-19(21)20(23-24)16-25(15-17-7-6-13-27-17)22(26)12-14-28-18-8-3-2-4-9-18/h2-4,6-9,13H,5,10-12,14-16H2,1H3
InChIKeyRZESLYUMROXBET-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.21
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide

N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 86266535) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide
PubChem CID86266535
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)CCSc2ccccc2)c2c1CCC2
InChIInChI=1S/C22H25N3O2S/c1-24-21-11-5-10-19(21)20(23-24)16-25(15-17-7-6-13-27-17)22(26)12-14-28-18-8-3-2-4-9-18/h2-4,6-9,13H,5,10-12,14-16H2,1H3
InChIKeyRZESLYUMROXBET-UHFFFAOYSA-N
XLogP4.21
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide (CID 86266535) is N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide is Cn1nc(CN(Cc2ccco2)C(=O)CCSc2ccccc2)c2c1CCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is RZESLYUMROXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-24-21-11-5-10-19(21)20(23-24)16-25(15-17-7-6-13-27-17)22(26)12-14-28-18-8-3-2-4-9-18/h2-4,6-9,13H,5,10-12,14-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide?
N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 395.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86266535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).