2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C13H27NO2S — CID 102915012

IUPAC2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCOCCSCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)12(11(3)4)8-14-13(15)9-17-7-6-16-5/h10-12H,6-9H2,1-5H3,(H,14,15)
InChIKeySDAFRMFXLSVXHK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.41
Rot. Bonds9

About 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102915012) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102915012
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCOCCSCC(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)12(11(3)4)8-14-13(15)9-17-7-6-16-5/h10-12H,6-9H2,1-5H3,(H,14,15)
InChIKeySDAFRMFXLSVXHK-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 61137493
2-(cyanomethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914364
2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465329
2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618631
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 66179365
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 115283379
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43427721
2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
CID 88501364
(2S)-4-methoxy-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-4-oxobutanoic acid
CID 63307466
methyl 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]benzoate
CID 43423614
2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82181436
4-[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]ethyl]benzoic acid
CID 43665750

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102915012) is 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is COCCSCC(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is SDAFRMFXLSVXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(2)12(11(3)4)8-14-13(15)9-17-7-6-16-5/h10-12H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 261.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102915012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).