5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide

C22H20N2O4S2 — CID 50810462

IUPAC5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C22H20N2O4S2/c1-30(26,27)24(15-16-6-3-2-4-7-16)18-9-10-20-17(12-18)13-21(29-20)22(25)23-14-19-8-5-11-28-19/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyYOXDLEWFBOAVCI-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.39
Rot. Bonds7

About 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide

5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 50810462) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID50810462
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC Name5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C22H20N2O4S2/c1-30(26,27)24(15-16-6-3-2-4-7-16)18-9-10-20-17(12-18)13-21(29-20)22(25)23-14-19-8-5-11-28-19/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyYOXDLEWFBOAVCI-UHFFFAOYSA-N
XLogP4.39
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810576
N-benzyl-N-methyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246656
N-benzyl-5-[ethyl(methylsulfonyl)amino]-N-methyl-1-benzothiophene-2-carboxamide
CID 50810660
5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 17246595
N-(4-methylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246611
N-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246727
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 53287315
N-(2-ethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246618
5-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 17246686
5-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3,5-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246738
N-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246614

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 50810462) is 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc2sc(C(=O)NCc3ccco3)cc2c1.
What is the InChIKey of 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YOXDLEWFBOAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-30(26,27)24(15-16-6-3-2-4-7-16)18-9-10-20-17(12-18)13-21(29-20)22(25)23-14-19-8-5-11-28-19/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).