2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C14H19F3N2O3S — CID 113153366

IUPAC2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-9(2)6-7-19(23(3,21)22)8-12(20)18-11-5-4-10(15)13(16)14(11)17/h4-5,9H,6-8H2,1-3H3,(H,18,20)
InChIKeyNHXQDCCLOISOCV-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.35
Rot. Bonds7

About 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113153366) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113153366
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O3S/c1-9(2)6-7-19(23(3,21)22)8-12(20)18-11-5-4-10(15)13(16)14(11)17/h4-5,9H,6-8H2,1-3H3,(H,18,20)
InChIKeyNHXQDCCLOISOCV-UHFFFAOYSA-N
XLogP2.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150231
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153356
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153986
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 39793374
2-[(4-fluorophenyl)methylsulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675523
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 113153366) is 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CC(C)CCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O.
What is the InChIKey of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NHXQDCCLOISOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-9(2)6-7-19(23(3,21)22)8-12(20)18-11-5-4-10(15)13(16)14(11)17/h4-5,9H,6-8H2,1-3H3,(H,18,20).
What are the key properties of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).