2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide

C13H27NO4S — CID 78852670

IUPAC2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)8-14(9-12(3)4)13(15)10-19(16,17)7-6-18-5/h11-12H,6-10H2,1-5H3
InChIKeyDJYOBANSTAVOQS-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.19
Rot. Bonds9

About 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide

2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 78852670) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide
PubChem CID78852670
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO4S/c1-11(2)8-14(9-12(3)4)13(15)10-19(16,17)7-6-18-5/h11-12H,6-10H2,1-5H3
InChIKeyDJYOBANSTAVOQS-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(2-propylsulfonylacetyl)amino]acetic acid
CID 119192819
N-cyclopropyl-N-ethyl-2-(2-methoxyethylsulfonyl)acetamide
CID 78877022
N-(2-cyanoethyl)-2-(2-methoxyethylsulfonyl)-N-methylacetamide
CID 61210411
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992855
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108505035
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide (CID 78852670) is 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide is COCCS(=O)(=O)CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is DJYOBANSTAVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-11(2)8-14(9-12(3)4)13(15)10-19(16,17)7-6-18-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide?
2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 78852670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).