N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

C26H23F3N2O4S — CID 59194056

IUPACN-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C26H23F3N2O4S/c1-36(33,34)31-12-11-30-25(32)19-7-3-6-18(15-19)22-9-4-10-24-23(22)16-21(35-24)14-17-5-2-8-20(13-17)26(27,28)29/h2-10,13,15-16,31H,11-12,14H2,1H3,(H,30,32)
InChIKeyAVPMUVKLWGGXGK-UHFFFAOYSA-N
MW516.54 g/mol
LogP4.99
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide

N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (PubChem CID 59194056) has the molecular formula C26H23F3N2O4S and a molecular weight of 516.54 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
PubChem CID59194056
Molecular FormulaC26H23F3N2O4S
Molecular Weight516.54 g/mol
Exact Mass516.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1
InChIInChI=1S/C26H23F3N2O4S/c1-36(33,34)31-12-11-30-25(32)19-7-3-6-18(15-19)22-9-4-10-24-23(22)16-21(35-24)14-17-5-2-8-20(13-17)26(27,28)29/h2-10,13,15-16,31H,11-12,14H2,1H3,(H,30,32)
InChIKeyAVPMUVKLWGGXGK-UHFFFAOYSA-N
XLogP4.99
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 59193751
tert-butyl N-[2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzoyl]amino]acetyl]carbamate
CID 59193874
N-(2-methoxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
CID 87302191
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 176661619
N-(2-cyanoethyl)-3-[3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-7-yl]benzamide
CID 59194004
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194084
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
3-[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]-N-(2-methoxyethyl)benzamide
CID 59194094
N-(2-methoxyethyl)-3-[3-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194046
methyl 2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoyl]amino]acetate
CID 59193803
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
N-(2-cyanoethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1H-indol-7-yl]benzamide
CID 59193739

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide (CID 59194056) is N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is CS(=O)(=O)NCCNC(=O)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)c1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
The InChIKey is AVPMUVKLWGGXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4S/c1-36(33,34)31-12-11-30-25(32)19-7-3-6-18(15-19)22-9-4-10-24-23(22)16-21(35-24)14-17-5-2-8-20(13-17)26(27,28)29/h2-10,13,15-16,31H,11-12,14H2,1H3,(H,30,32).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide?
N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide has a molecular weight of 516.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide is sourced from PubChem (CID 59194056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).