N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide

C16H23F3N2O3S — CID 113068329

IUPACN-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-3-4-5-11-21(25(2,23)24)12-10-20-15(22)13-6-8-14(9-7-13)16(17,18)19/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyGUJRSGZOGJVOJP-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.89
Rot. Bonds9

About N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113068329) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113068329
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCCCCCN(CCNC(=O)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H23F3N2O3S/c1-3-4-5-11-21(25(2,23)24)12-10-20-15(22)13-6-8-14(9-7-13)16(17,18)19/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyGUJRSGZOGJVOJP-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113065137
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 113068329) is N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide is CCCCCN(CCNC(=O)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GUJRSGZOGJVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-3-4-5-11-21(25(2,23)24)12-10-20-15(22)13-6-8-14(9-7-13)16(17,18)19/h6-9H,3-5,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 380.43 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113068329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).