2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide

C12H19N3O3S — CID 43546022

IUPAC2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCCNS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-10-4-3-5-11(8-10)15-12(16)9-13-6-7-14-19(2,17)18/h3-5,8,13-14H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyFRKHJPPWJFERDX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.07
Rot. Bonds7

About 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide

2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide (PubChem CID 43546022) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
PubChem CID43546022
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNCCNS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-10-4-3-5-11(8-10)15-12(16)9-13-6-7-14-19(2,17)18/h3-5,8,13-14H,6-7,9H2,1-2H3,(H,15,16)
InChIKeyFRKHJPPWJFERDX-UHFFFAOYSA-N
XLogP0.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
N-(2-aminoethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39162194
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106401239
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide (CID 43546022) is 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNCCNS(C)(=O)=O)c1.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is FRKHJPPWJFERDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-4-3-5-11(8-10)15-12(16)9-13-6-7-14-19(2,17)18/h3-5,8,13-14H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide?
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 43546022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).