N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide

C17H18ClNO3S2 — CID 2819419

IUPACN-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
SMILESO=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H18ClNO3S2/c18-15-6-8-16(9-7-15)24(21,22)11-10-23-13-17(20)19-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyHGTGFROQBWTQCJ-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.16
Rot. Bonds8

About N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide

N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide (PubChem CID 2819419) has the molecular formula C17H18ClNO3S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
PubChem CID2819419
Molecular FormulaC17H18ClNO3S2
Molecular Weight383.92 g/mol
Exact Mass383.04
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
SMILESO=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H18ClNO3S2/c18-15-6-8-16(9-7-15)24(21,22)11-10-23-13-17(20)19-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyHGTGFROQBWTQCJ-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
N-[(4-chlorophenyl)methyl]-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 56782791
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-benzyl-2-butylsulfanylacetamide
CID 112781296
N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064867
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31088989
N-benzyl-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzamide
CID 24676607
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide (CID 2819419) is N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide is O=C(CSCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide?
The InChIKey is HGTGFROQBWTQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S2/c18-15-6-8-16(9-7-15)24(21,22)11-10-23-13-17(20)19-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide?
N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide has a molecular weight of 383.92 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide is sourced from PubChem (CID 2819419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).