1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide

C23H24N4O5S — CID 89237443

IUPAC1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)NCCc3ccccc3)n1C)C2
InChIInChI=1S/C23H24N4O5S/c1-3-20(28)25-21-13-17-14-27(15-19(17)32-21)33(30,31)22-10-9-18(26(22)2)23(29)24-12-11-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3,(H,24,29)(H,25,28)
InChIKeyWNMNUQZVVMPDOR-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.42
Rot. Bonds8

About 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide

1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide (PubChem CID 89237443) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide
PubChem CID89237443
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)NCCc3ccccc3)n1C)C2
InChIInChI=1S/C23H24N4O5S/c1-3-20(28)25-21-13-17-14-27(15-19(17)32-21)33(30,31)22-10-9-18(26(22)2)23(29)24-12-11-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3,(H,24,29)(H,25,28)
InChIKeyWNMNUQZVVMPDOR-UHFFFAOYSA-N
XLogP2.42
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
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 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide (CID 89237443) is 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(=O)NCCc3ccccc3)n1C)C2.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide?
The InChIKey is WNMNUQZVVMPDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-3-20(28)25-21-13-17-14-27(15-19(17)32-21)33(30,31)22-10-9-18(26(22)2)23(29)24-12-11-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3,(H,24,29)(H,25,28).
What are the key properties of 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide?
1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)-5-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]pyrrole-2-carboxamide is sourced from PubChem (CID 89237443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).