N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide

C11H12ClNOS — CID 107035066

IUPACN-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C11H12ClNOS/c1-8(12)7-13-11(14)6-9-2-4-10(15)5-3-9/h2-5,15H,1,6-7H2,(H,13,14)
InChIKeyWJUWTGNLVMPCKJ-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.39
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide

N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107035066) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107035066
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC NameN-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C11H12ClNOS/c1-8(12)7-13-11(14)6-9-2-4-10(15)5-3-9/h2-5,15H,1,6-7H2,(H,13,14)
InChIKeyWJUWTGNLVMPCKJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
CID 115636641
N-[2-(carbamoylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107034090
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
N-(2-chloroprop-2-enyl)-2-(2,6-dichlorophenyl)acetamide
CID 115636770
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
N-methyl-3-[[2-(4-sulfanylphenyl)acetyl]amino]propanamide
CID 107027277
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
CID 107020116
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
CID 115636730
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide (CID 107035066) is N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide is C=C(Cl)CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is WJUWTGNLVMPCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-8(12)7-13-11(14)6-9-2-4-10(15)5-3-9/h2-5,15H,1,6-7H2,(H,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide?
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 241.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107035066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).