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

C19H16N2O4S2 — CID 89237422

IUPACN-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C19H16N2O4S2/c1-2-17(22)20-18-10-14-11-21(12-15(14)25-18)27(23,24)19-9-8-16(26-19)13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,20,22)
InChIKeyVYSXYWREGLMGHA-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.84
Rot. Bonds5

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

N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89237422) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89237422
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C19H16N2O4S2/c1-2-17(22)20-18-10-14-11-21(12-15(14)25-18)27(23,24)19-9-8-16(26-19)13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,20,22)
InChIKeyVYSXYWREGLMGHA-UHFFFAOYSA-N
XLogP3.84
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.84
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-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89237422) is N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-(5-phenylthiophen-2-yl)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)s1)C2.
What is the InChIKey of N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is VYSXYWREGLMGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c1-2-17(22)20-18-10-14-11-21(12-15(14)25-18)27(23,24)19-9-8-16(26-19)13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,20,22).
What are the key properties of N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 400.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-phenylthiophen-2-yl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89237422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).