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-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127027945
2-hydroxy-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127025716
5-(3-propan-2-ylanilino)-3H-2-benzofuran-1-one
CID 162631522
5-naphthalen-1-yl-3H-2-benzofuran-1-one
CID 102047975
5-(3-fluoro-4-methylphenyl)-3H-2-benzofuran-1-one
CID 155276243
5-amino-3H-2-benzofuran-1-one;5-hydrazinyl-3H-2-benzofuran-1-one
CID 118174442
(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide
CID 90481161
3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73294931
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138

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).