2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide

C15H31F3N4O3S — CID 130303702

IUPAC2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCN(CC)CCC(CN(CC)CC)NCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H31F3N4O3S/c1-5-21(6-2)10-9-13(12-22(7-3)8-4)19-11-14(23)20-26(24,25)15(16,17)18/h13,19H,5-12H2,1-4H3,(H,20,23)
InChIKeyYHTFQMPPTIIUDZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.98
Rot. Bonds13

About 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide

2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 130303702) has the molecular formula C15H31F3N4O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID130303702
Molecular FormulaC15H31F3N4O3S
Molecular Weight404.50 g/mol
Exact Mass404.21
IUPAC Name2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCN(CC)CCC(CN(CC)CC)NCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H31F3N4O3S/c1-5-21(6-2)10-9-13(12-22(7-3)8-4)19-11-14(23)20-26(24,25)15(16,17)18/h13,19H,5-12H2,1-4H3,(H,20,23)
InChIKeyYHTFQMPPTIIUDZ-UHFFFAOYSA-N
XLogP0.98
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3-oxobutylamino)-N-(trifluoromethylsulfonyl)propanamide
CID 89957917
2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130305327
2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide
CID 140802614
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
2-[Piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide
CID 54923271
N-methyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306488
N-ethyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306489
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492565
N,N-dimethyl-1-(trifluoromethylsulfonyl)piperazine-2-carboxamide
CID 65819004
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide
CID 78931857
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958505
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106336369

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide (CID 130303702) is 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide is CCN(CC)CCC(CN(CC)CC)NCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is YHTFQMPPTIIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N4O3S/c1-5-21(6-2)10-9-13(12-22(7-3)8-4)19-11-14(23)20-26(24,25)15(16,17)18/h13,19H,5-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 0.98, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 130303702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).