2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide

C12H18N2O3S — CID 15118177

IUPAC2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C12H18N2O3S/c1-3-14(8-12(13)15)18(16,17)9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyOEALSHIUSPDBAU-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.63
Rot. Bonds6

About 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide

2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide (PubChem CID 15118177) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
PubChem CID15118177
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C12H18N2O3S/c1-3-14(8-12(13)15)18(16,17)9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,15)
InChIKeyOEALSHIUSPDBAU-UHFFFAOYSA-N
XLogP0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
2-[(2-aminophenyl)methylsulfonyl-(2-methylpropyl)amino]acetamide
CID 62020901
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]-N-methylacetamide
CID 43578983
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide
CID 15118174
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371
2-[[2,3-dichloro-5-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 15118457
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide (CID 15118177) is 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide is CCN(CC(N)=O)S(=O)(=O)Cc1ccccc1C.
What is the InChIKey of 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide?
The InChIKey is OEALSHIUSPDBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-14(8-12(13)15)18(16,17)9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide?
2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide is sourced from PubChem (CID 15118177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).