N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

C20H17N3O4S — CID 89238820

IUPACN-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccccc3)nc1)C2
InChIInChI=1S/C20H17N3O4S/c1-2-19(24)22-20-10-15-12-23(13-18(15)27-20)28(25,26)16-8-9-17(21-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,22,24)
InChIKeyBWUUQFJEXXJQNW-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.17
Rot. Bonds5

About N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238820) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238820
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccccc3)nc1)C2
InChIInChI=1S/C20H17N3O4S/c1-2-19(24)22-20-10-15-12-23(13-18(15)27-20)28(25,26)16-8-9-17(21-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,22,24)
InChIKeyBWUUQFJEXXJQNW-UHFFFAOYSA-N
XLogP3.17
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238820) is N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccccc3)nc1)C2.
What is the InChIKey of N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is BWUUQFJEXXJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-2-19(24)22-20-10-15-12-23(13-18(15)27-20)28(25,26)16-8-9-17(21-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,22,24).
What are the key properties of N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 395.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-phenyl-3-pyridinyl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).