N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide

C18H29NO4S — CID 91653153

IUPACN,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C18H29NO4S/c1-4-19(5-2)18(20)15-24-14-16-6-8-17(9-7-16)23-13-12-22-11-10-21-3/h6-9H,4-5,10-15H2,1-3H3
InChIKeyWKUCDJAGRNCPDS-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.83
Rot. Bonds13

About N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide

N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide (PubChem CID 91653153) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide
PubChem CID91653153
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC NameN,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide
SMILESCCN(CC)C(=O)CSCc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C18H29NO4S/c1-4-19(5-2)18(20)15-24-14-16-6-8-17(9-7-16)23-13-12-22-11-10-21-3/h6-9H,4-5,10-15H2,1-3H3
InChIKeyWKUCDJAGRNCPDS-UHFFFAOYSA-N
XLogP2.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 54901266
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-ethylamino]acetic acid
CID 119206308
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-(diethylamino)-1-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]piperazin-1-yl]ethanone
CID 99792270
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide (CID 91653153) is N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide is CCN(CC)C(=O)CSCc1ccc(OCCOCCOC)cc1.
What is the InChIKey of N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide?
The InChIKey is WKUCDJAGRNCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-4-19(5-2)18(20)15-24-14-16-6-8-17(9-7-16)23-13-12-22-11-10-21-3/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide?
N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide has a molecular weight of 355.50 g/mol, XLogP of 2.83, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 91653153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).