but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide

C14H21NOS — CID 142338610

IUPACbut-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide
SMILESCC=CC.Cc1ccc(C(=O)NCCS)cc1
InChIInChI=1S/C10H13NOS.C4H8/c1-8-2-4-9(5-3-8)10(12)11-6-7-13;1-3-4-2/h2-5,13H,6-7H2,1H3,(H,11,12);3-4H,1-2H3
InChIKeyRMEKCIQDNYDNMY-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.24
Rot. Bonds3

About but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide

but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide (PubChem CID 142338610) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide.

Molecular Properties

Compound Namebut-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide
PubChem CID142338610
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Namebut-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide
SMILESCC=CC.Cc1ccc(C(=O)NCCS)cc1
InChIInChI=1S/C10H13NOS.C4H8/c1-8-2-4-9(5-3-8)10(12)11-6-7-13;1-3-4-2/h2-5,13H,6-7H2,1H3,(H,11,12);3-4H,1-2H3
InChIKeyRMEKCIQDNYDNMY-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[2-(cyanoamino)ethyl]-4-methylbenzamide
CID 62481255

Frequently Asked Questions

What is the IUPAC name of but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide?
The IUPAC name of but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide (CID 142338610) is but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide.
What is the SMILES notation for but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide?
The canonical SMILES for but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide is CC=CC.Cc1ccc(C(=O)NCCS)cc1.
What is the InChIKey of but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide?
The InChIKey is RMEKCIQDNYDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS.C4H8/c1-8-2-4-9(5-3-8)10(12)11-6-7-13;1-3-4-2/h2-5,13H,6-7H2,1H3,(H,11,12);3-4H,1-2H3.
What are the key properties of but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide?
but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide has a molecular weight of 251.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide is sourced from PubChem (CID 142338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).