N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C24H26N2O5S — CID 37429678

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H26N2O5S/c1-19-9-10-21(16-23(19)32(28,29)26-11-14-30-15-12-26)24(27)25(18-22-8-5-13-31-22)17-20-6-3-2-4-7-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3
InChIKeyFDOHCZOKSZJFKO-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.45
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 37429678) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID37429678
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H26N2O5S/c1-19-9-10-21(16-23(19)32(28,29)26-11-14-30-15-12-26)24(27)25(18-22-8-5-13-31-22)17-20-6-3-2-4-7-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3
InChIKeyFDOHCZOKSZJFKO-UHFFFAOYSA-N
XLogP3.45
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 75857678
N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
(4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2496345
N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 37429678) is N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FDOHCZOKSZJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-19-9-10-21(16-23(19)32(28,29)26-11-14-30-15-12-26)24(27)25(18-22-8-5-13-31-22)17-20-6-3-2-4-7-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 37429678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).