N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide

C12H13F3N2O3S — CID 43429869

IUPACN-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)21(19,20)10-5-3-8(4-6-10)16-7-11(18)17-9-1-2-9/h3-6,9,16H,1-2,7H2,(H,17,18)
InChIKeyKZPJWZZLILEERL-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.67
Rot. Bonds5

About N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide

N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide (PubChem CID 43429869) has the molecular formula C12H13F3N2O3S and a molecular weight of 322.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
PubChem CID43429869
Molecular FormulaC12H13F3N2O3S
Molecular Weight322.31 g/mol
Exact Mass322.06
IUPAC NameN-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C12H13F3N2O3S/c13-12(14,15)21(19,20)10-5-3-8(4-6-10)16-7-11(18)17-9-1-2-9/h3-6,9,16H,1-2,7H2,(H,17,18)
InChIKeyKZPJWZZLILEERL-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(methylsulfamoyl)anilino]acetamide
CID 43568438
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
methyl 2-[4-(trifluoromethylsulfonyl)anilino]acetate
CID 43427641
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858
N-(2-cyclopentylethyl)-4-(trifluoromethylsulfonyl)aniline
CID 63536611
N-(2-cyclopropylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115591442
N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
CID 79378081
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
N-cyclopropyl-2-(thiophen-3-ylamino)acetamide
CID 66350850
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide (CID 43429869) is N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide is O=C(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide?
The InChIKey is KZPJWZZLILEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3S/c13-12(14,15)21(19,20)10-5-3-8(4-6-10)16-7-11(18)17-9-1-2-9/h3-6,9,16H,1-2,7H2,(H,17,18).
What are the key properties of N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide?
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide has a molecular weight of 322.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide is sourced from PubChem (CID 43429869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).