[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate

C20H18FNO5S — CID 174716725

IUPAC[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate
SMILESCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(COC=O)c2cc1C1CC1
InChIInChI=1S/C20H18FNO5S/c1-28(24,25)22-18-9-19-16(8-15(18)12-2-3-12)17(10-26-11-23)20(27-19)13-4-6-14(21)7-5-13/h4-9,11-12,22H,2-3,10H2,1H3
InChIKeyNUACCUUKLMGTFO-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.16
Rot. Bonds7

About [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate

[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate (PubChem CID 174716725) has the molecular formula C20H18FNO5S and a molecular weight of 403.43 g/mol. Its IUPAC name is [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate.

Molecular Properties

Compound Name[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate
PubChem CID174716725
Molecular FormulaC20H18FNO5S
Molecular Weight403.43 g/mol
Exact Mass403.09
IUPAC Name[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate
SMILESCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(COC=O)c2cc1C1CC1
InChIInChI=1S/C20H18FNO5S/c1-28(24,25)22-18-9-19-16(8-15(18)12-2-3-12)17(10-26-11-23)20(27-19)13-4-6-14(21)7-5-13/h4-9,11-12,22H,2-3,10H2,1H3
InChIKeyNUACCUUKLMGTFO-UHFFFAOYSA-N
XLogP4.16
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 71742621
ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-(methylsulfonylmethylsulfonylamino)-1-benzofuran-3-carboxylate
CID 122573415
5-cyclopropyl-2-(4-fluorophenyl)-6-[3-(2-hydroxyethoxy)propylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 134263235
7-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylnaphthalene-1-carboxamide
CID 143141463
2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-1-benzofuran-6-yl]amino]-N-methylsulfonylacetamide
CID 118620169
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[(3-methyl-4-nitrophenyl)methylsulfonylamino]-1-benzofuran-3-carboxamide
CID 71258768
N-[2-(4-fluorophenyl)-3-(methylaminomethyl)-5-piperidin-3-yl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 123227446
6-[[4-bromo-3-(hydroxymethyl)phenyl]methylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71258318
6-[2-[4-bromo-3-(trifluoromethyl)phenyl]ethylsulfonylamino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 67354766
5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 71258701
5-cyclopropyl-6-[(3-fluoro-4-nitrophenyl)methylsulfonylamino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71258761
4-[5-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]amino]pentoxymethyl]benzoic acid
CID 139322862

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate?
The IUPAC name of [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate (CID 174716725) is [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate.
What is the SMILES notation for [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate?
The canonical SMILES for [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate is CS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(COC=O)c2cc1C1CC1.
What is the InChIKey of [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate?
The InChIKey is NUACCUUKLMGTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5S/c1-28(24,25)22-18-9-19-16(8-15(18)12-2-3-12)17(10-26-11-23)20(27-19)13-4-6-14(21)7-5-13/h4-9,11-12,22H,2-3,10H2,1H3.
What are the key properties of [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate?
[5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate has a molecular weight of 403.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-2-(4-fluorophenyl)-6-(methanesulfonamido)-1-benzofuran-3-yl]methyl formate is sourced from PubChem (CID 174716725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).