N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H22F3N3O4S — CID 55712283

IUPACN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(OCC(F)(F)F)nc2)c(C)c1
InChIInChI=1S/C19H22F3N3O4S/c1-12-8-13(2)18(14(3)9-12)30(27,28)24-7-6-16(26)25-15-4-5-17(23-10-15)29-11-19(20,21)22/h4-5,8-10,24H,6-7,11H2,1-3H3,(H,25,26)
InChIKeyLFMJSSSNSWUUOG-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.26
Rot. Bonds8

About N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 55712283) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID55712283
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC NameN-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(OCC(F)(F)F)nc2)c(C)c1
InChIInChI=1S/C19H22F3N3O4S/c1-12-8-13(2)18(14(3)9-12)30(27,28)24-7-6-16(26)25-15-4-5-17(23-10-15)29-11-19(20,21)22/h4-5,8-10,24H,6-7,11H2,1-3H3,(H,25,26)
InChIKeyLFMJSSSNSWUUOG-UHFFFAOYSA-N
XLogP3.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-(4-ethoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26561482
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
CID 89185244
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 78792145
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
N-(6-amino-3-pyridinyl)-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119516505
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 55712283) is N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(OCC(F)(F)F)nc2)c(C)c1.
What is the InChIKey of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is LFMJSSSNSWUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-12-8-13(2)18(14(3)9-12)30(27,28)24-7-6-16(26)25-15-4-5-17(23-10-15)29-11-19(20,21)22/h4-5,8-10,24H,6-7,11H2,1-3H3,(H,25,26).
What are the key properties of N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 445.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55712283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).