N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide

C25H26FNO5S — CID 166595643

IUPACN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OC2CC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1
InChIInChI=1S/C25H26FNO5S/c1-25(2,3)16-6-9-20(31-17-7-8-17)23(12-16)33(29,30)27-24(28)22-13-18-19(26)10-15(14-4-5-14)11-21(18)32-22/h6,9-14,17H,4-5,7-8H2,1-3H3,(H,27,28)
InChIKeyLNXNOYFSOVZJBH-UHFFFAOYSA-N
MW471.55 g/mol
LogP5.41
Rot. Bonds6

About N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide

N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166595643) has the molecular formula C25H26FNO5S and a molecular weight of 471.55 g/mol. Its IUPAC name is N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide
PubChem CID166595643
Molecular FormulaC25H26FNO5S
Molecular Weight471.55 g/mol
Exact Mass471.15
IUPAC NameN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(OC2CC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1
InChIInChI=1S/C25H26FNO5S/c1-25(2,3)16-6-9-20(31-17-7-8-17)23(12-16)33(29,30)27-24(28)22-13-18-19(26)10-15(14-4-5-14)11-21(18)32-22/h6,9-14,17H,4-5,7-8H2,1-3H3,(H,27,28)
InChIKeyLNXNOYFSOVZJBH-UHFFFAOYSA-N
XLogP5.41
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide (CID 166595643) is N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide is CC(C)(C)c1ccc(OC2CC2)c(S(=O)(=O)NC(=O)c2cc3c(F)cc(C4CC4)cc3o2)c1.
What is the InChIKey of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is LNXNOYFSOVZJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO5S/c1-25(2,3)16-6-9-20(31-17-7-8-17)23(12-16)33(29,30)27-24(28)22-13-18-19(26)10-15(14-4-5-14)11-21(18)32-22/h6,9-14,17H,4-5,7-8H2,1-3H3,(H,27,28).
What are the key properties of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide?
N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-cyclopropyl-4-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166595643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).