N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide

C11H12ClNOS — CID 115636458

IUPACN-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H12ClNOS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyWJYSWLQFOLAAKH-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.65
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide

N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide (PubChem CID 115636458) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
PubChem CID115636458
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC NameN-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H12ClNOS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14)
InChIKeyWJYSWLQFOLAAKH-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
CID 43387626
2-phenylsulfanylacetohydrazide
CID 7037418
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide (CID 115636458) is N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide is C=C(Cl)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide?
The InChIKey is WJYSWLQFOLAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-9(12)7-13-11(14)8-15-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide?
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide has a molecular weight of 241.74 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 115636458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).