N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide

C24H28N2O5S — CID 155234494

IUPACN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3cc(C(C)(C)C)ccc3OC3CC3)oc2c1
InChIInChI=1S/C24H28N2O5S/c1-24(2,3)16-7-11-19(30-18-9-10-18)22(13-16)32(28,29)25-23(27)21-12-15-6-8-17(26(4)5)14-20(15)31-21/h6-8,11-14,18H,9-10H2,1-5H3,(H,25,27)
InChIKeyWRXMOLCACAQXHD-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.46
Rot. Bonds6

About N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide

N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (PubChem CID 155234494) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
PubChem CID155234494
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3cc(C(C)(C)C)ccc3OC3CC3)oc2c1
InChIInChI=1S/C24H28N2O5S/c1-24(2,3)16-7-11-19(30-18-9-10-18)22(13-16)32(28,29)25-23(27)21-12-15-6-8-17(26(4)5)14-20(15)31-21/h6-8,11-14,18H,9-10H2,1-5H3,(H,25,27)
InChIKeyWRXMOLCACAQXHD-UHFFFAOYSA-N
XLogP4.46
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (CID 155234494) is N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3cc(C(C)(C)C)ccc3OC3CC3)oc2c1.
What is the InChIKey of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The InChIKey is WRXMOLCACAQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-24(2,3)16-7-11-19(30-18-9-10-18)22(13-16)32(28,29)25-23(27)21-12-15-6-8-17(26(4)5)14-20(15)31-21/h6-8,11-14,18H,9-10H2,1-5H3,(H,25,27).
What are the key properties of N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).