3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide

C24H23ClN2O4S — CID 60522060

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O4S/c1-17(28)20-8-5-9-22(16-20)32(30,31)26-15-14-23(29)27-24(18-6-3-2-4-7-18)19-10-12-21(25)13-11-19/h2-13,16,24,26H,14-15H2,1H3,(H,27,29)
InChIKeyDBFSSVFLRBSWBL-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.12
Rot. Bonds9

About 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide (PubChem CID 60522060) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
PubChem CID60522060
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23ClN2O4S/c1-17(28)20-8-5-9-22(16-20)32(30,31)26-15-14-23(29)27-24(18-6-3-2-4-7-18)19-10-12-21(25)13-11-19/h2-13,16,24,26H,14-15H2,1H3,(H,27,29)
InChIKeyDBFSSVFLRBSWBL-UHFFFAOYSA-N
XLogP4.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
3-[(3-acetylphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86960267
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
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-(benzenesulfonamido)-N-[1-(3,4-dichlorophenyl)ethyl]propanamide
CID 43006985
3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 112790595
3-[(3-acetylphenyl)sulfonylamino]-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]propanamide
CID 60573334
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-acetylphenyl)sulfonylamino]-N-(2-methyl-2-phenylpropyl)propanamide
CID 46414513

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide (CID 60522060) is 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide?
The InChIKey is DBFSSVFLRBSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-17(28)20-8-5-9-22(16-20)32(30,31)26-15-14-23(29)27-24(18-6-3-2-4-7-18)19-10-12-21(25)13-11-19/h2-13,16,24,26H,14-15H2,1H3,(H,27,29).
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide has a molecular weight of 470.98 g/mol, XLogP of 4.12, 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-[(4-chlorophenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 60522060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).