N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide

C18H15ClN2O3S — CID 2079379

IUPACN-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
SMILESO=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3S/c19-14-7-3-4-8-15(14)20-16(22)11-25-10-9-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyFDAYDIROFJCYNI-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.31
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide

N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide (PubChem CID 2079379) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
PubChem CID2079379
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
SMILESO=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O3S/c19-14-7-3-4-8-15(14)20-16(22)11-25-10-9-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyFDAYDIROFJCYNI-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]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

2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9032090
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908896
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
2-[2-(3-hydroxypropylsulfanyl)ethyl]isoindole-1,3-dione
CID 66115003

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide (CID 2079379) is N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide is O=C(CSCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide?
The InChIKey is FDAYDIROFJCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-14-7-3-4-8-15(14)20-16(22)11-25-10-9-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8H,9-11H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide?
N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 2079379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).