N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide

C25H26N2O5S — CID 17134329

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O5S/c28-25(21-7-4-8-23(19-21)32-16-13-20-5-2-1-3-6-20)26-22-9-11-24(12-10-22)33(29,30)27-14-17-31-18-15-27/h1-12,19H,13-18H2,(H,26,28)
InChIKeyQXHNCEPHVLAJQO-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.58
Rot. Bonds8

About N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide

N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide (PubChem CID 17134329) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
PubChem CID17134329
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C25H26N2O5S/c28-25(21-7-4-8-23(19-21)32-16-13-20-5-2-1-3-6-20)26-22-9-11-24(12-10-22)33(29,30)27-14-17-31-18-15-27/h1-12,19H,13-18H2,(H,26,28)
InChIKeyQXHNCEPHVLAJQO-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134651
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134649
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenylethoxy)benzamide
CID 17134316
3-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4955260
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 146084787
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
CID 55655217
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide (CID 17134329) is N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide?
The InChIKey is QXHNCEPHVLAJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c28-25(21-7-4-8-23(19-21)32-16-13-20-5-2-1-3-6-20)26-22-9-11-24(12-10-22)33(29,30)27-14-17-31-18-15-27/h1-12,19H,13-18H2,(H,26,28).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide?
N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17134329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).