3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide

C27H30N2O4S — CID 47081612

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O4S/c30-27(29(25-9-5-2-6-10-25)18-17-23-7-3-1-4-8-23)16-13-24-11-14-26(15-12-24)34(31,32)28-19-21-33-22-20-28/h1-12,14-15H,13,16-22H2
InChIKeyWUAWGLRWFSVCPX-UHFFFAOYSA-N
MW478.61 g/mol
LogP3.92
Rot. Bonds9

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 47081612) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
PubChem CID47081612
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O4S/c30-27(29(25-9-5-2-6-10-25)18-17-23-7-3-1-4-8-23)16-13-24-11-14-26(15-12-24)34(31,32)28-19-21-33-22-20-28/h1-12,14-15H,13,16-22H2
InChIKeyWUAWGLRWFSVCPX-UHFFFAOYSA-N
XLogP3.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
CID 55513242
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991439
1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 157274569
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide (CID 47081612) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is WUAWGLRWFSVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c30-27(29(25-9-5-2-6-10-25)18-17-23-7-3-1-4-8-23)16-13-24-11-14-26(15-12-24)34(31,32)28-19-21-33-22-20-28/h1-12,14-15H,13,16-22H2.
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 478.61 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 47081612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).