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

C14H17F3N2O3S — CID 113065137

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19(12-6-7-12)9-8-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20)
InChIKeyRZEVKCRKMILSNK-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.86
Rot. Bonds6

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

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113065137) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113065137
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3S/c1-23(21,22)19(12-6-7-12)9-8-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20)
InChIKeyRZEVKCRKMILSNK-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065838
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113068164
2-chloro-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068154
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 113065137) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide is CS(=O)(=O)N(CCNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is RZEVKCRKMILSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-23(21,22)19(12-6-7-12)9-8-18-13(20)10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3,(H,18,20).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 350.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113065137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).