3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide

C25H26N2O4S — CID 134014613

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4S/c1-19(28)22-13-8-14-23(18-22)32(30,31)26-16-15-25(29)27-24(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-14,18,24,26H,15-17H2,1H3,(H,27,29)
InChIKeyAPSCJXGCIKMMMN-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.66
Rot. Bonds10

About 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide (PubChem CID 134014613) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
PubChem CID134014613
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O4S/c1-19(28)22-13-8-14-23(18-22)32(30,31)26-16-15-25(29)27-24(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-14,18,24,26H,15-17H2,1H3,(H,27,29)
InChIKeyAPSCJXGCIKMMMN-UHFFFAOYSA-N
XLogP3.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
[(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937046

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide (CID 134014613) is 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide?
The InChIKey is APSCJXGCIKMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-19(28)22-13-8-14-23(18-22)32(30,31)26-16-15-25(29)27-24(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-14,18,24,26H,15-17H2,1H3,(H,27,29).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide is sourced from PubChem (CID 134014613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).