N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H16F3NOS — CID 134004426

IUPACN-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCSCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H16F3NOS/c1-20-9-13(19)18(12-6-7-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyVFWJPLYICBVOIL-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.56
Rot. Bonds5

About N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134004426) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134004426
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC NameN-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCSCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H16F3NOS/c1-20-9-13(19)18(12-6-7-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3
InChIKeyVFWJPLYICBVOIL-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)-N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 31819420
N-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 87016290
N-cyclopropyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 37483335
N-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78896719
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 46588656
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 71909108
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985183
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155768249

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 134004426) is N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CSCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VFWJPLYICBVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-20-9-13(19)18(12-6-7-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,12H,6-9H2,1H3.
What are the key properties of N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 303.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134004426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).