N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

C20H23ClN2O3S2 — CID 134016811

IUPACN-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
SMILESCSCCC(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S2/c1-27-13-11-19(20(24)22-15-17-7-9-18(21)10-8-17)23-28(25,26)14-12-16-5-3-2-4-6-16/h2-10,12,14,19,23H,11,13,15H2,1H3,(H,22,24)/b14-12+
InChIKeyUDMSMNMKAFODGI-WYMLVPIESA-N
MW439.00 g/mol
LogP3.67
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide (PubChem CID 134016811) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
PubChem CID134016811
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
SMILESCSCCC(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S2/c1-27-13-11-19(20(24)22-15-17-7-9-18(21)10-8-17)23-28(25,26)14-12-16-5-3-2-4-6-16/h2-10,12,14,19,23H,11,13,15H2,1H3,(H,22,24)/b14-12+
InChIKeyUDMSMNMKAFODGI-WYMLVPIESA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide with MolForge

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Related Compounds

N-(4-methylpentyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 43060632
methyl 6-[[4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]amino]hexanoate
CID 43004185
N-(3-chloro-4-methylphenyl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 43004618
(2S)-N-cyclohexyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 52894474
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]-N-(3,4,5-trimethoxyphenyl)butanamide
CID 16573293
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]butanedioic acid
CID 78907343
(2S)-3-phenyl-2-(2-phenylethenylsulfonylamino)propanoic acid
CID 706131
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 43004293
2-(benzenesulfonamido)-4-methylsulfanyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]butanamide
CID 55679141
2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
CID 24598971

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide (CID 134016811) is N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide is CSCCC(NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide?
The InChIKey is UDMSMNMKAFODGI-WYMLVPIESA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c1-27-13-11-19(20(24)22-15-17-7-9-18(21)10-8-17)23-28(25,26)14-12-16-5-3-2-4-6-16/h2-10,12,14,19,23H,11,13,15H2,1H3,(H,22,24)/b14-12+.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide?
N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide has a molecular weight of 439.00 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide is sourced from PubChem (CID 134016811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).