Skip to content

2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C26H28FN3O6S2 — CID 123938921

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=C(F)CC2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(CNS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C26H28FN3O6S2/c1-28-26(31)24-21-13-20(17-7-5-16(6-8-17)15-29-37(3,32)33)22(30(2)38(4,34)35)14-23(21)36-25(24)18-9-11-19(27)12-10-18/h5-9,11,13-14,29H,10,12,15H2,1-4H3,(H,28,31)
InChIKeyZNIBNBGVHPOIOV-UHFFFAOYSA-N
MW561.66 g/mol
LogP3.93
Rot. Bonds8

About 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 123938921) has the molecular formula C26H28FN3O6S2 and a molecular weight of 561.66 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID123938921
Molecular FormulaC26H28FN3O6S2
Molecular Weight561.66 g/mol
Exact Mass561.14
IUPAC Name2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C2=CC=C(F)CC2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(CNS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C26H28FN3O6S2/c1-28-26(31)24-21-13-20(17-7-5-16(6-8-17)15-29-37(3,32)33)22(30(2)38(4,34)35)14-23(21)36-25(24)18-9-11-19(27)12-10-18/h5-9,11,13-14,29H,10,12,15H2,1-4H3,(H,28,31)
InChIKeyZNIBNBGVHPOIOV-UHFFFAOYSA-N
XLogP3.93
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-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 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 123938921) is 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(C2=CC=C(F)CC2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(CNS(C)(=O)=O)cc3)cc12.
What is the InChIKey of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is ZNIBNBGVHPOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6S2/c1-28-26(31)24-21-13-20(17-7-5-16(6-8-17)15-29-37(3,32)33)22(30(2)38(4,34)35)14-23(21)36-25(24)18-9-11-19(27)12-10-18/h5-9,11,13-14,29H,10,12,15H2,1-4H3,(H,28,31).
What are the key properties of 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 561.66 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-1,3-dien-1-yl)-5-[4-(methanesulfonamidomethyl)phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123938921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.