N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C14H16F3NOS — CID 107031876

IUPACN-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CC1(CS)CC1
InChIInChI=1S/C14H16F3NOS/c1-9-2-3-10(14(15,16)17)6-11(9)18-12(19)7-13(8-20)4-5-13/h2-3,6,20H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyDVLJPTDHYTZDFA-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.05
Rot. Bonds4

About N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107031876) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107031876
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC NameN-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CC1(CS)CC1
InChIInChI=1S/C14H16F3NOS/c1-9-2-3-10(14(15,16)17)6-11(9)18-12(19)7-13(8-20)4-5-13/h2-3,6,20H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyDVLJPTDHYTZDFA-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 107020407
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034934
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021041
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 107020504
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107031876) is N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is Cc1ccc(C(F)(F)F)cc1NC(=O)CC1(CS)CC1.
What is the InChIKey of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is DVLJPTDHYTZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-9-2-3-10(14(15,16)17)6-11(9)18-12(19)7-13(8-20)4-5-13/h2-3,6,20H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 303.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107031876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).