N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide

C22H20N2O4S2 — CID 50810576

IUPACN-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-15-5-8-19(9-6-15)30(26,27)24(2)17-7-10-20-16(12-17)13-21(29-20)22(25)23-14-18-4-3-11-28-18/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyBXXYZKPDQLCLRS-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.56
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide

N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide (PubChem CID 50810576) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
PubChem CID50810576
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC NameN-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1
InChIInChI=1S/C22H20N2O4S2/c1-15-5-8-19(9-6-15)30(26,27)24(2)17-7-10-20-16(12-17)13-21(29-20)22(25)23-14-18-4-3-11-28-18/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyBXXYZKPDQLCLRS-UHFFFAOYSA-N
XLogP4.56
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810390
5-[benzyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810462
N-(2-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810758
5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 50810295
5-[benzenesulfonyl(methyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 50810511
5-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 50810734
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 17246801
5-[(4-bromophenyl)sulfonyl-methylamino]-N-butyl-1-benzothiophene-2-carboxamide
CID 17246793
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246816
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 17246880
5-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-propyl-1-benzothiophene-2-carboxamide
CID 92670479
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide (CID 50810576) is N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide?
The InChIKey is BXXYZKPDQLCLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-15-5-8-19(9-6-15)30(26,27)24(2)17-7-10-20-16(12-17)13-21(29-20)22(25)23-14-18-4-3-11-28-18/h3-13H,14H2,1-2H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide?
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).