N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C23H24N2O5S — CID 75857678

IUPACN-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5S/c1-17-9-10-19(16-21(17)31(27,28)25-11-14-29-15-12-25)23(26)24-22(20-8-5-13-30-20)18-6-3-2-4-7-18/h2-10,13,16,22H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyDTBZYNZRIDHASJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.13
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 75857678) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID75857678
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5S/c1-17-9-10-19(16-21(17)31(27,28)25-11-14-29-15-12-25)23(26)24-22(20-8-5-13-30-20)18-6-3-2-4-7-18/h2-10,13,16,22H,11-12,14-15H2,1H3,(H,24,26)
InChIKeyDTBZYNZRIDHASJ-UHFFFAOYSA-N
XLogP3.13
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
4-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 132669528
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678
[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528946
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 75857678) is N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DTBZYNZRIDHASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-9-10-19(16-21(17)31(27,28)25-11-14-29-15-12-25)23(26)24-22(20-8-5-13-30-20)18-6-3-2-4-7-18/h2-10,13,16,22H,11-12,14-15H2,1H3,(H,24,26).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 440.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 75857678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).