[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate

C21H24N2O6S — CID 46819650

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O6S/c1-14(22-21(26)17-7-5-4-6-8-17)13-19(24)29-15(2)20(25)16-9-11-18(12-10-16)23-30(3,27)28/h4-12,14-15,23H,13H2,1-3H3,(H,22,26)
InChIKeyFPVHGJWIRBIGOC-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.38
Rot. Bonds9

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate (PubChem CID 46819650) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
PubChem CID46819650
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O6S/c1-14(22-21(26)17-7-5-4-6-8-17)13-19(24)29-15(2)20(25)16-9-11-18(12-10-16)23-30(3,27)28/h4-12,14-15,23H,13H2,1-3H3,(H,22,26)
InChIKeyFPVHGJWIRBIGOC-UHFFFAOYSA-N
XLogP2.38
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate with MolForge

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Related Compounds

[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
CID 39803836
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214921
methyl 3-benzamidobutanoate
CID 10857046
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386201
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8582613
2-oxopropyl 3-benzamidobutanoate
CID 46819800
methyl 1-[2-[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl]oxy-2-oxoethyl]indole-3-carboxylate
CID 43032351
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
CID 46819587

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate (CID 46819650) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate is CC(CC(=O)OC(C)C(=O)c1ccc(NS(C)(=O)=O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate?
The InChIKey is FPVHGJWIRBIGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-14(22-21(26)17-7-5-4-6-8-17)13-19(24)29-15(2)20(25)16-9-11-18(12-10-16)23-30(3,27)28/h4-12,14-15,23H,13H2,1-3H3,(H,22,26).
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate has a molecular weight of 432.50 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate is sourced from PubChem (CID 46819650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).