5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide

C19H19BrN2O4S — CID 155244976

IUPAC5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)NC(=O)c1cc2cc(Br)c(N(C)C)cc2o1
InChIInChI=1S/C19H19BrN2O4S/c1-4-25-15-7-5-6-8-18(15)27(24)21-19(23)17-10-12-9-13(20)14(22(2)3)11-16(12)26-17/h5-11H,4H2,1-3H3,(H,21,23)
InChIKeyODUUQPAJYICGAP-UHFFFAOYSA-N
MW451.34 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide

5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 155244976) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID155244976
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1S(=O)NC(=O)c1cc2cc(Br)c(N(C)C)cc2o1
InChIInChI=1S/C19H19BrN2O4S/c1-4-25-15-7-5-6-8-18(15)27(24)21-19(23)17-10-12-9-13(20)14(22(2)3)11-16(12)26-17/h5-11H,4H2,1-3H3,(H,21,23)
InChIKeyODUUQPAJYICGAP-UHFFFAOYSA-N
XLogP4.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245
5-bromo-6-(dimethylamino)-N-(2-propan-2-yloxyphenyl)sulfanyl-1-benzofuran-2-carboxamide
CID 155244726
6-cyclopropyl-N-(2-ethoxyphenyl)sulfinyl-4-fluoro-1-benzofuran-2-carboxamide
CID 167006960
6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244808
6-(dimethylamino)-N-(2-methoxy-4-methylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 170110624
6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
CID 155714230
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
CID 155244705
2-ethoxybenzenesulfinic acid
CID 19828725
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55957273
6-cyclopropyl-4-(dimethylamino)-N-(2-ethoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 166595651
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 155244976) is 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide is CCOc1ccccc1S(=O)NC(=O)c1cc2cc(Br)c(N(C)C)cc2o1.
What is the InChIKey of 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is ODUUQPAJYICGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c1-4-25-15-7-5-6-8-18(15)27(24)21-19(23)17-10-12-9-13(20)14(22(2)3)11-16(12)26-17/h5-11H,4H2,1-3H3,(H,21,23).
What are the key properties of 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide?
5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).