4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide

C26H30N2O3S — CID 156775729

IUPAC4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21-7-14-25(15-8-21)32(29,30)27-26(16-9-22-5-3-2-4-6-22)23-10-12-24(13-11-23)28-17-19-31-20-18-28/h2-8,10-15,26-27H,9,16-20H2,1H3
InChIKeyMVVGDDZEKMIBRW-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.48
Rot. Bonds8

About 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide

4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide (PubChem CID 156775729) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
PubChem CID156775729
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21-7-14-25(15-8-21)32(29,30)27-26(16-9-22-5-3-2-4-6-22)23-10-12-24(13-11-23)28-17-19-31-20-18-28/h2-8,10-15,26-27H,9,16-20H2,1H3
InChIKeyMVVGDDZEKMIBRW-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
4-methyl-N-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]benzenesulfonamide
CID 156775731
(3S)-3-[(4-methylphenyl)sulfonylamino]-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 160716542
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide (CID 156775729) is 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide?
The InChIKey is MVVGDDZEKMIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-21-7-14-25(15-8-21)32(29,30)27-26(16-9-22-5-3-2-4-6-22)23-10-12-24(13-11-23)28-17-19-31-20-18-28/h2-8,10-15,26-27H,9,16-20H2,1H3.
What are the key properties of 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide?
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide has a molecular weight of 450.60 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 156775729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).