4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide

C24H25ClFN5O4S2 — CID 11273033

IUPAC4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide
SMILESC/C(=C\S(=O)(=O)NC1CCN(c2ccc(C(=O)N(C)CCc3cnc[nH]3)cc2F)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C24H25ClFN5O4S2/c1-15(21-5-6-22(25)36-21)13-37(34,35)29-19-8-10-31(24(19)33)20-4-3-16(11-18(20)26)23(32)30(2)9-7-17-12-27-14-28-17/h3-6,11-14,19,29H,7-10H2,1-2H3,(H,27,28)/b15-13+
InChIKeyZNMXNODRHJPABD-FYWRMAATSA-N
MW566.08 g/mol
LogP3.66
Rot. Bonds9

About 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide

4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide (PubChem CID 11273033) has the molecular formula C24H25ClFN5O4S2 and a molecular weight of 566.08 g/mol. Its IUPAC name is 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide
PubChem CID11273033
Molecular FormulaC24H25ClFN5O4S2
Molecular Weight566.08 g/mol
Exact Mass565.10
IUPAC Name4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide
SMILESC/C(=C\S(=O)(=O)NC1CCN(c2ccc(C(=O)N(C)CCc3cnc[nH]3)cc2F)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C24H25ClFN5O4S2/c1-15(21-5-6-22(25)36-21)13-37(34,35)29-19-8-10-31(24(19)33)20-4-3-16(11-18(20)26)23(32)30(2)9-7-17-12-27-14-28-17/h3-6,11-14,19,29H,7-10H2,1-2H3,(H,27,28)/b15-13+
InChIKeyZNMXNODRHJPABD-FYWRMAATSA-N
XLogP3.66
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.08
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide (CID 11273033) is 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide is C/C(=C\S(=O)(=O)NC1CCN(c2ccc(C(=O)N(C)CCc3cnc[nH]3)cc2F)C1=O)c1ccc(Cl)s1.
What is the InChIKey of 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide?
The InChIKey is ZNMXNODRHJPABD-FYWRMAATSA-N. The full InChI is InChI=1S/C24H25ClFN5O4S2/c1-15(21-5-6-22(25)36-21)13-37(34,35)29-19-8-10-31(24(19)33)20-4-3-16(11-18(20)26)23(32)30(2)9-7-17-12-27-14-28-17/h3-6,11-14,19,29H,7-10H2,1-2H3,(H,27,28)/b15-13+.
What are the key properties of 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide?
4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide has a molecular weight of 566.08 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(E)-2-(5-chlorothiophen-2-yl)prop-1-enyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 11273033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).