N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

C15H23NOS — CID 115168083

IUPACN-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCN(C)C(=O)CCS)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-9-12(2)14(13(3)10-11)5-7-16(4)15(17)6-8-18/h9-10,18H,5-8H2,1-4H3
InChIKeyKXSCARBMCKMZJY-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide

N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (PubChem CID 115168083) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
PubChem CID115168083
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(CCN(C)C(=O)CCS)c(C)c1
InChIInChI=1S/C15H23NOS/c1-11-9-12(2)14(13(3)10-11)5-7-16(4)15(17)6-8-18/h9-10,18H,5-8H2,1-4H3
InChIKeyKXSCARBMCKMZJY-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethylphenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168067
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 82130384
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005
N-methyl-3-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115167953
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167934
N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 117044147
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
N',N'-dimethyl-5-(2,4,6-trimethylphenyl)pentanehydrazide
CID 116847795

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The IUPAC name of N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide (CID 115168083) is N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(CCN(C)C(=O)CCS)c(C)c1.
What is the InChIKey of N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
The InChIKey is KXSCARBMCKMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-9-12(2)14(13(3)10-11)5-7-16(4)15(17)6-8-18/h9-10,18H,5-8H2,1-4H3.
What are the key properties of N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide?
N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide has a molecular weight of 265.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 115168083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).