[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate

C20H23NO4S — CID 54578575

IUPAC[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
SMILESC=CC(OC(C)=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4S/c1-4-20(25-16(3)22)19(14-17-8-6-5-7-9-17)21-26(23,24)18-12-10-15(2)11-13-18/h4-13,19-21H,1,14H2,2-3H3/t19-,20?/m0/s1
InChIKeyUXNATGWQDPCLNA-XJDOXCRVSA-N
MW373.47 g/mol
LogP3.00
Rot. Bonds8

About [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate

[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate (PubChem CID 54578575) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
PubChem CID54578575
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
SMILESC=CC(OC(C)=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23NO4S/c1-4-20(25-16(3)22)19(14-17-8-6-5-7-9-17)21-26(23,24)18-12-10-15(2)11-13-18/h4-13,19-21H,1,14H2,2-3H3/t19-,20?/m0/s1
InChIKeyUXNATGWQDPCLNA-XJDOXCRVSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R,4R)-5-phenyl-4-[[(1R)-1-phenylethyl]amino]pent-1-en-3-yl] acetate
CID 11484132
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
3-methylbut-2-enyl 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 10715259
2-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanylbutanoic acid
CID 23446079
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide
CID 172561352
2-chloroacetaldehyde;(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 87106127
5-phenylpent-1-en-3-yl N-(4-methylphenyl)sulfonylcarbamate
CID 102001467
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate?
The IUPAC name of [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate (CID 54578575) is [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate.
What is the SMILES notation for [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate?
The canonical SMILES for [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate is C=CC(OC(C)=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate?
The InChIKey is UXNATGWQDPCLNA-XJDOXCRVSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-4-20(25-16(3)22)19(14-17-8-6-5-7-9-17)21-26(23,24)18-12-10-15(2)11-13-18/h4-13,19-21H,1,14H2,2-3H3/t19-,20?/m0/s1.
What are the key properties of [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate?
[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate has a molecular weight of 373.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate is sourced from PubChem (CID 54578575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).