2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C14H20F3N3O3S — CID 113150231

IUPAC2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O3S/c1-19(2)7-4-8-20(24(3,22)23)9-12(21)18-11-6-5-10(15)13(16)14(11)17/h5-6H,4,7-9H2,1-3H3,(H,18,21)
InChIKeySVODJBPZFHFHDT-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.26
Rot. Bonds8

About 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113150231) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113150231
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O
InChIInChI=1S/C14H20F3N3O3S/c1-19(2)7-4-8-20(24(3,22)23)9-12(21)18-11-6-5-10(15)13(16)14(11)17/h5-6H,4,7-9H2,1-3H3,(H,18,21)
InChIKeySVODJBPZFHFHDT-UHFFFAOYSA-N
XLogP1.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113153366
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
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
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 113150231) is 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is CN(C)CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SVODJBPZFHFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-19(2)7-4-8-20(24(3,22)23)9-12(21)18-11-6-5-10(15)13(16)14(11)17/h5-6H,4,7-9H2,1-3H3,(H,18,21).
What are the key properties of 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 367.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113150231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).