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

C22H26N2O5S — CID 155234543

IUPACN-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C22H26N2O5S/c1-22(2,3)15-8-10-17(28-6)20(12-15)30(26,27)23-21(25)19-11-14-7-9-16(24(4)5)13-18(14)29-19/h7-13H,1-6H3,(H,23,25)
InChIKeyDUUXQSOPDSYQSS-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.92
Rot. Bonds5

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

N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (PubChem CID 155234543) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
PubChem CID155234543
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C22H26N2O5S/c1-22(2,3)15-8-10-17(28-6)20(12-15)30(26,27)23-21(25)19-11-14-7-9-16(24(4)5)13-18(14)29-19/h7-13H,1-6H3,(H,23,25)
InChIKeyDUUXQSOPDSYQSS-UHFFFAOYSA-N
XLogP3.92
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234494
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
(1-iodo-2-methylpropan-2-yl) N-[2-[2-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]phenoxy]ethyl]carbamate
CID 155244963
6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 170110624
N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-5-(dimethylamino)quinoline-2-carboxamide
CID 176957687
N-[2-cyclobutyloxy-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234318
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897
ethyl 4-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]piperidine-1-carboxylate
CID 155234000
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide (CID 155234543) is N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
The InChIKey is DUUXQSOPDSYQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-22(2,3)15-8-10-17(28-6)20(12-15)30(26,27)23-21(25)19-11-14-7-9-16(24(4)5)13-18(14)29-19/h7-13H,1-6H3,(H,23,25).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.92, 5 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-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).