2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide

C13H15Cl2NOS — CID 115628169

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NOS/c1-2-3-4-7-16-13(17)9-18-12-8-10(14)5-6-11(12)15/h2-3,5-6,8H,4,7,9H2,1H3,(H,16,17)/b3-2+
InChIKeyHYMQAZXRFBPMHL-NSCUHMNNSA-N
MW304.24 g/mol
LogP4.17
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide (PubChem CID 115628169) has the molecular formula C13H15Cl2NOS and a molecular weight of 304.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
PubChem CID115628169
Molecular FormulaC13H15Cl2NOS
Molecular Weight304.24 g/mol
Exact Mass303.03
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NOS/c1-2-3-4-7-16-13(17)9-18-12-8-10(14)5-6-11(12)15/h2-3,5-6,8H,4,7,9H2,1H3,(H,16,17)/b3-2+
InChIKeyHYMQAZXRFBPMHL-NSCUHMNNSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2536502
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2567501
N-sec-Butyl-2-(4-chloro-phenylsulfanyl)-acetamide
CID 3139102
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2085853
2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide
CID 693975
2-chloro-N-{2-[(4-chlorophenyl)thio]ethyl}acetamide
CID 3888339
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
N-allyl-2-[(4-chlorophenyl)thio]propanamide
CID 2889882
2-[(4-chlorophenyl)thio]-N-pentylpropanamide
CID 2954807

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide (CID 115628169) is 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is HYMQAZXRFBPMHL-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H15Cl2NOS/c1-2-3-4-7-16-13(17)9-18-12-8-10(14)5-6-11(12)15/h2-3,5-6,8H,4,7,9H2,1H3,(H,16,17)/b3-2+.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 304.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 115628169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).