N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide

C24H27N3O5S — CID 20965247

IUPACN-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NCc3ccco3)cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O5S/c1-18-4-6-19(7-5-18)16-25-22-9-8-20(24(28)26-17-21-3-2-12-32-21)15-23(22)33(29,30)27-10-13-31-14-11-27/h2-9,12,15,25H,10-11,13-14,16-17H2,1H3,(H,26,28)
InChIKeyLFDBJKJSPIIXSB-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.15
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide

N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 20965247) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID20965247
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NCc3ccco3)cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O5S/c1-18-4-6-19(7-5-18)16-25-22-9-8-20(24(28)26-17-21-3-2-12-32-21)15-23(22)33(29,30)27-10-13-31-14-11-27/h2-9,12,15,25H,10-11,13-14,16-17H2,1H3,(H,26,28)
InChIKeyLFDBJKJSPIIXSB-UHFFFAOYSA-N
XLogP3.15
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965249
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-3-morpholin-4-ylsulfonylbenzamide
CID 46349179
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 9303699
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 47090075
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
CID 4882410

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide (CID 20965247) is N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(CNc2ccc(C(=O)NCc3ccco3)cc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LFDBJKJSPIIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-18-4-6-19(7-5-18)16-25-22-9-8-20(24(28)26-17-21-3-2-12-32-21)15-23(22)33(29,30)27-10-13-31-14-11-27/h2-9,12,15,25H,10-11,13-14,16-17H2,1H3,(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide?
N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 469.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 20965247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).