N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide

C12H17NO4S — CID 146132180

IUPACN-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
SMILESCCOCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO4S/c1-4-17-8-12(14)13-18(15,16)11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyOGTLBBJOOBSIHF-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.14
Rot. Bonds5

About N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide

N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide (PubChem CID 146132180) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
PubChem CID146132180
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
SMILESCCOCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C12H17NO4S/c1-4-17-8-12(14)13-18(15,16)11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKeyOGTLBBJOOBSIHF-UHFFFAOYSA-N
XLogP1.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
N-(2,5-dimethylphenyl)sulfonyl-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 167914863
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 111043850
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
CID 146129663
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657203
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide (CID 146132180) is N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide is CCOCC(=O)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide?
The InChIKey is OGTLBBJOOBSIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-17-8-12(14)13-18(15,16)11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14).
What are the key properties of N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide?
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide has a molecular weight of 271.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide is sourced from PubChem (CID 146132180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).