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

C18H18N2O5S — CID 155244905

IUPAC6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C18H18N2O5S/c1-20(2)13-9-8-12-10-16(25-15(12)11-13)18(21)19-26(22,23)17-7-5-4-6-14(17)24-3/h4-11H,1-3H3,(H,19,21)
InChIKeyIHZUSHOOBNVREF-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.63
Rot. Bonds5

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

6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155244905) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155244905
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1
InChIInChI=1S/C18H18N2O5S/c1-20(2)13-9-8-12-10-16(25-15(12)11-13)18(21)19-26(22,23)17-7-5-4-6-14(17)24-3/h4-11H,1-3H3,(H,19,21)
InChIKeyIHZUSHOOBNVREF-UHFFFAOYSA-N
XLogP2.63
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234543
6-(dimethylamino)-N-[2-(2-fluoroethoxy)phenyl]sulfonyl-1-benzofuran-2-carboxamide
CID 155234463
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234376
(1-iodo-2-methylpropan-2-yl) N-[2-[2-[[6-(dimethylamino)-1-benzofuran-2-carbonyl]sulfamoyl]phenoxy]ethyl]carbamate
CID 155244963
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897
6-(dimethylamino)-N-(5-methyl-2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233912
N-(5-tert-butyl-2-cyclopropyloxyphenyl)sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234494
6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 170110624
6-(dimethylamino)-4-fluoro-N-(2-propoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234416
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 155234881
N-[2-cyclobutyloxy-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]sulfonyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155234318
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155244905) is 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)c1cc2ccc(N(C)C)cc2o1.
What is the InChIKey of 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is IHZUSHOOBNVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(2)13-9-8-12-10-16(25-15(12)11-13)18(21)19-26(22,23)17-7-5-4-6-14(17)24-3/h4-11H,1-3H3,(H,19,21).
What are the key properties of 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).