N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide

C14H19NOS — CID 78762330

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C14H19NOS/c1-4-15(10-12(2)3)14(16)11-17-13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3
InChIKeyPMXWWCONJOQGPI-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide (PubChem CID 78762330) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
PubChem CID78762330
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C14H19NOS/c1-4-15(10-12(2)3)14(16)11-17-13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3
InChIKeyPMXWWCONJOQGPI-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
CID 78761780
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399
N-ethyl-N-(2-methylprop-2-enyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47095346
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
5-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941810
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 47096035
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 43300945
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide (CID 78762330) is N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide is C=C(C)CN(CC)C(=O)CSc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide?
The InChIKey is PMXWWCONJOQGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-4-15(10-12(2)3)14(16)11-17-13-8-6-5-7-9-13/h5-9H,2,4,10-11H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide has a molecular weight of 249.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 78762330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).