N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide

C21H15NO3S — CID 155244834

IUPACN-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C21H15NO3S/c23-21(19-14-16-10-4-6-12-18(16)25-19)22-26(24)20-13-7-5-11-17(20)15-8-2-1-3-9-15/h1-14H,(H,22,23)
InChIKeyNKBXRQISAIQNIF-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.55
Rot. Bonds4

About N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide

N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide (PubChem CID 155244834) has the molecular formula C21H15NO3S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
PubChem CID155244834
Molecular FormulaC21H15NO3S
Molecular Weight361.42 g/mol
Exact Mass361.08
IUPAC NameN-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C21H15NO3S/c23-21(19-14-16-10-4-6-12-18(16)25-19)22-26(24)20-13-7-5-11-17(20)15-8-2-1-3-9-15/h1-14H,(H,22,23)
InChIKeyNKBXRQISAIQNIF-UHFFFAOYSA-N
XLogP4.55
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azetidin-1-yl)-N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 167018347
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
6-(dimethylamino)-N-[2-[4-(hydroxymethyl)phenyl]phenyl]sulfinyl-1-benzofuran-2-carboxamide
CID 155244705
6-cyclopropyl-N-(2-phenylphenyl)sulfinyl-4-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 167007231
2-(1-benzofuran-2-carbonylamino)-4-phenylthiophene-3-carboxylic acid
CID 2360560
6-(dimethylamino)-N-(2-hydroxyphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244808
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
6-(dimethylamino)-N-quinolin-8-ylsulfinyl-1-benzofuran-2-carboxamide
CID 155714230
N'-phenylsulfanyl-1-benzofuran-2-carbohydrazide
CID 142129828

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide (CID 155244834) is N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide is O=C(NS(=O)c1ccccc1-c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
The InChIKey is NKBXRQISAIQNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3S/c23-21(19-14-16-10-4-6-12-18(16)25-19)22-26(24)20-13-7-5-11-17(20)15-8-2-1-3-9-15/h1-14H,(H,22,23).
What are the key properties of N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide?
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).