1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C30H31FN4O6S — CID 122696029

IUPAC1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccnc(N3CCOCC3)c2)c1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C30H31FN4O6S/c31-24-6-7-27-23(17-24)18-29(41-27)42(37,38)35-10-2-5-26(35)30(36)33-19-21-3-1-4-25(15-21)40-20-22-8-9-32-28(16-22)34-11-13-39-14-12-34/h1,3-4,6-9,15-18,26H,2,5,10-14,19-20H2,(H,33,36)
InChIKeyXEPYODWJLOJLJE-UHFFFAOYSA-N
MW594.67 g/mol
LogP3.85
Rot. Bonds9

About 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 122696029) has the molecular formula C30H31FN4O6S and a molecular weight of 594.67 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID122696029
Molecular FormulaC30H31FN4O6S
Molecular Weight594.67 g/mol
Exact Mass594.19
IUPAC Name1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccnc(N3CCOCC3)c2)c1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C30H31FN4O6S/c31-24-6-7-27-23(17-24)18-29(41-27)42(37,38)35-10-2-5-26(35)30(36)33-19-21-3-1-4-25(15-21)40-20-22-8-9-32-28(16-22)34-11-13-39-14-12-34/h1,3-4,6-9,15-18,26H,2,5,10-14,19-20H2,(H,33,36)
InChIKeyXEPYODWJLOJLJE-UHFFFAOYSA-N
XLogP3.85
TPSA114.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.67
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 122696029) is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCc2ccnc(N3CCOCC3)c2)c1)C1CCCN1S(=O)(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XEPYODWJLOJLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O6S/c31-24-6-7-27-23(17-24)18-29(41-27)42(37,38)35-10-2-5-26(35)30(36)33-19-21-3-1-4-25(15-21)40-20-22-8-9-32-28(16-22)34-11-13-39-14-12-34/h1,3-4,6-9,15-18,26H,2,5,10-14,19-20H2,(H,33,36).
What are the key properties of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 594.67 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-N-[[3-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122696029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).