N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

C14H19F3N2O4S — CID 113145280

IUPACN-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCOCCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O4S/c1-23-10-8-18-13(20)7-9-19(24(2,21)22)12-5-3-11(4-6-12)14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeySZRQIPATURTHHP-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.62
Rot. Bonds8

About N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide

N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (PubChem CID 113145280) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
PubChem CID113145280
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC NameN-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
SMILESCOCCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H19F3N2O4S/c1-23-10-8-18-13(20)7-9-19(24(2,21)22)12-5-3-11(4-6-12)14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeySZRQIPATURTHHP-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
N-(2-methoxyethyl)-3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]propanamide
CID 113145839
N-(3-methoxypropyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286873
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145294
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide (CID 113145280) is N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is COCCNC(=O)CCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
The InChIKey is SZRQIPATURTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-23-10-8-18-13(20)7-9-19(24(2,21)22)12-5-3-11(4-6-12)14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide?
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide has a molecular weight of 368.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 113145280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).