N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

C19H17N3O4S2 — CID 89238100

IUPACN-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)cc1)C2
InChIInChI=1S/C19H17N3O4S2/c1-3-18(23)21-19-8-14-9-22(10-17(14)26-19)28(24,25)15-6-4-13(5-7-15)16-11-27-12(2)20-16/h3-8,11H,1,9-10H2,2H3,(H,21,23)
InChIKeyNISRMZQFIHFEHQ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.54
Rot. Bonds5

About N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238100) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238100
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)cc1)C2
InChIInChI=1S/C19H17N3O4S2/c1-3-18(23)21-19-8-14-9-22(10-17(14)26-19)28(24,25)15-6-4-13(5-7-15)16-11-27-12(2)20-16/h3-8,11H,1,9-10H2,2H3,(H,21,23)
InChIKeyNISRMZQFIHFEHQ-UHFFFAOYSA-N
XLogP3.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238100) is N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)cc1)C2.
What is the InChIKey of N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is NISRMZQFIHFEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-3-18(23)21-19-8-14-9-22(10-17(14)26-19)28(24,25)15-6-4-13(5-7-15)16-11-27-12(2)20-16/h3-8,11H,1,9-10H2,2H3,(H,21,23).
What are the key properties of N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 415.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).