N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide

C19H15NO4S2 — CID 127029798

IUPACN-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C19H15NO4S2/c1-26(22,23)20-15-5-2-12(3-6-15)17-8-9-18(25-17)13-4-7-16-14(10-13)11-24-19(16)21/h2-10,20H,11H2,1H3
InChIKeyHCEYSZYRKLLAQJ-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.12
Rot. Bonds4

About N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide

N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide (PubChem CID 127029798) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
PubChem CID127029798
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC NameN-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C19H15NO4S2/c1-26(22,23)20-15-5-2-12(3-6-15)17-8-9-18(25-17)13-4-7-16-14(10-13)11-24-19(16)21/h2-10,20H,11H2,1H3
InChIKeyHCEYSZYRKLLAQJ-UHFFFAOYSA-N
XLogP4.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)thiophene-2-sulfonamide
CID 713179
Methyl 4-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16026362
Methyl 3-[(4-ethylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 16026517
Methyl 3-[(2,3-dimethylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 16026521
Ethyl 3-[(4-ethylphenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16034548
4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029491
Ethyl 3-[(2-fluorophenyl)sulfamoyl]-4-phenylthiophene-2-carboxylate
CID 16026539
Methyl 3-{[2-(ethoxycarbonyl)phenyl]sulfamoyl}-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16026360
Ethyl 3-[(3-ethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16026668
Ethyl 3-[(2,5-dimethylphenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
CID 16026670
Methyl 4-phenyl-3-(phenylsulfamoyl)thiophene-2-carboxylate
CID 16034546
2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzoic acid
CID 127025715

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide (CID 127029798) is N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1.
What is the InChIKey of N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide?
The InChIKey is HCEYSZYRKLLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c1-26(22,23)20-15-5-2-12(3-6-15)17-8-9-18(25-17)13-4-7-16-14(10-13)11-24-19(16)21/h2-10,20H,11H2,1H3.
What are the key properties of N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide?
N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 127029798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).