N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide

C17H16ClN3O3S2 — CID 9259068

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S2/c18-14-5-7-15(8-6-14)25-10-9-20-17(22)12-21-26(23,24)16-4-2-1-3-13(16)11-19/h1-8,21H,9-10,12H2,(H,20,22)
InChIKeyYEXZVXOZAFQDKY-UHFFFAOYSA-N
MW409.92 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide (PubChem CID 9259068) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide
PubChem CID9259068
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3S2/c18-14-5-7-15(8-6-14)25-10-9-20-17(22)12-21-26(23,24)16-4-2-1-3-13(16)11-19/h1-8,21H,9-10,12H2,(H,20,22)
InChIKeyYEXZVXOZAFQDKY-UHFFFAOYSA-N
XLogP2.40
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-[(2-cyanophenyl)sulfonylamino]-N-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide
CID 9473155
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-cyanobenzenesulfonamide
CID 9082260
2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410013
(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9259120
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide (CID 9259068) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide is N#Cc1ccccc1S(=O)(=O)NCC(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide?
The InChIKey is YEXZVXOZAFQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-14-5-7-15(8-6-14)25-10-9-20-17(22)12-21-26(23,24)16-4-2-1-3-13(16)11-19/h1-8,21H,9-10,12H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide has a molecular weight of 409.92 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-cyanophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 9259068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).