N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide

C19H20N2O3S — CID 155244898

IUPACN-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide
SMILESCCNc1ccc2cc(C(=O)NSc3ccccc3OCC)oc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-20-14-10-9-13-11-17(24-16(13)12-14)19(22)21-25-18-8-6-5-7-15(18)23-4-2/h5-12,20H,3-4H2,1-2H3,(H,21,22)
InChIKeyJABDXIQJMZQNCA-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.70
Rot. Bonds7

About N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide

N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide (PubChem CID 155244898) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide
PubChem CID155244898
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide
SMILESCCNc1ccc2cc(C(=O)NSc3ccccc3OCC)oc2c1
InChIInChI=1S/C19H20N2O3S/c1-3-20-14-10-9-13-11-17(24-16(13)12-14)19(22)21-25-18-8-6-5-7-15(18)23-4-2/h5-12,20H,3-4H2,1-2H3,(H,21,22)
InChIKeyJABDXIQJMZQNCA-UHFFFAOYSA-N
XLogP4.70
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155714245
N-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]sulfanyl-6-(dimethylamino)-1-benzofuran-2-carboxamide
CID 155244949
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
N-(2-amino-4-ethoxy-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 91680637
7-ethoxy-N-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 40946707
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
5-bromo-6-(dimethylamino)-N-(2-ethoxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244976
N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162400
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide (CID 155244898) is N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide is CCNc1ccc2cc(C(=O)NSc3ccccc3OCC)oc2c1.
What is the InChIKey of N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide?
The InChIKey is JABDXIQJMZQNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-20-14-10-9-13-11-17(24-16(13)12-14)19(22)21-25-18-8-6-5-7-15(18)23-4-2/h5-12,20H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide?
N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)sulfanyl-6-(ethylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).