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

C17H15N3O3S4 — CID 89236585

IUPACN-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)s1)C2
InChIInChI=1S/C17H15N3O3S4/c1-3-15(21)19-16-6-11-7-20(8-14(11)25-16)27(22,23)17-5-4-13(26-17)12-9-24-10(2)18-12/h3-6,9H,1,7-8H2,2H3,(H,19,21)
InChIKeyWFZKWSRUYDPEIX-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.07
Rot. Bonds5

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

N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89236585) has the molecular formula C17H15N3O3S4 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89236585
Molecular FormulaC17H15N3O3S4
Molecular Weight437.59 g/mol
Exact Mass437.00
IUPAC NameN-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)s1)C2
InChIInChI=1S/C17H15N3O3S4/c1-3-15(21)19-16-6-11-7-20(8-14(11)25-16)27(22,23)17-5-4-13(26-17)12-9-24-10(2)18-12/h3-6,9H,1,7-8H2,2H3,(H,19,21)
InChIKeyWFZKWSRUYDPEIX-UHFFFAOYSA-N
XLogP4.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89236585) is N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(-c3csc(C)n3)s1)C2.
What is the InChIKey of N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is WFZKWSRUYDPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S4/c1-3-15(21)19-16-6-11-7-20(8-14(11)25-16)27(22,23)17-5-4-13(26-17)12-9-24-10(2)18-12/h3-6,9H,1,7-8H2,2H3,(H,19,21).
What are the key properties of N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 437.59 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89236585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).