3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide

C21H26N2O4S — CID 46414513

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16(24)17-8-7-11-19(14-17)28(26,27)23-13-12-20(25)22-15-21(2,3)18-9-5-4-6-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVCTWOVIDHFELIX-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.65
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide (PubChem CID 46414513) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
PubChem CID46414513
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16(24)17-8-7-11-19(14-17)28(26,27)23-13-12-20(25)22-15-21(2,3)18-9-5-4-6-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,25)
InChIKeyVCTWOVIDHFELIX-UHFFFAOYSA-N
XLogP2.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
CID 8630943
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide (CID 46414513) is 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC(C)(C)c2ccccc2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide?
The InChIKey is VCTWOVIDHFELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(24)17-8-7-11-19(14-17)28(26,27)23-13-12-20(25)22-15-21(2,3)18-9-5-4-6-10-18/h4-11,14,23H,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 2.65, 9 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-(2-methyl-2-phenylpropyl)propanamide is sourced from PubChem (CID 46414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).