2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C8H16F3N3O3S — CID 113221401

IUPAC2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCNS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-6(7(15)13-5-8(9,10)11)12-3-4-14-18(2,16)17/h6,12,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyWMMDFRFBWHHHAS-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.81
Rot. Bonds7

About 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113221401) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113221401
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCNS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-6(7(15)13-5-8(9,10)11)12-3-4-14-18(2,16)17/h6,12,14H,3-5H2,1-2H3,(H,13,15)
InChIKeyWMMDFRFBWHHHAS-UHFFFAOYSA-N
XLogP-0.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide 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-methyl-4-methylsulfonyl-6-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 53383311
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
(2S)-2-(3-oxobutylamino)-N-(trifluoromethylsulfonyl)propanamide
CID 89957917
2-methyl-N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]propanamide
CID 117709128
2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130303702
N-(2,2-difluoroethyl)-2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 167049013
2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 32230663
2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415883
2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415889
2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 45813819
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 113221401) is 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCNS(C)(=O)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WMMDFRFBWHHHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-6(7(15)13-5-8(9,10)11)12-3-4-14-18(2,16)17/h6,12,14H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 291.30 g/mol, XLogP of -0.81, 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-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113221401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).