N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide

C16H16ClNO2S — CID 2218435

IUPACN-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-20-10-11-21-15-5-3-2-4-14(15)16(19)18-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZBGQNQOSRUZAJT-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.33
Rot. Bonds6

About N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide

N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide (PubChem CID 2218435) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide
PubChem CID2218435
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-20-10-11-21-15-5-3-2-4-14(15)16(19)18-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZBGQNQOSRUZAJT-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
N-(4-bromophenyl)-2-(2-methoxyethylsulfanyl)benzamide
CID 2218442
Methyl 4-{[2-(4-chlorophenyl)-2-oxoethyl]thio}phenylcarbamate
CID 682633
N-(3,5-dimethylphenyl)-2-(2-methoxyethylsulfanyl)benzamide
CID 2218434
N-(2-chlorophenyl)-2-phenacylsulfanylacetamide
CID 704439
N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 977219
2-chloro-N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 1434894
N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
CID 2192292
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
2-[4-(Chloro-phenyl)carbamoyl-phenyl]-2-oxo-ethyl ethyl trithiocarbonate
CID 24894775
ThioCrom-31
CID 164617987
2-(2-methoxyethylsulfanyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2218450

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide (CID 2218435) is N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide is COCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide?
The InChIKey is ZBGQNQOSRUZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-20-10-11-21-15-5-3-2-4-14(15)16(19)18-13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide?
N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide has a molecular weight of 321.83 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-methoxyethylsulfanyl)benzamide is sourced from PubChem (CID 2218435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).