2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

C12H15F3N2OS — CID 60843073

IUPAC2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-8(2)16-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyPTFOCUDGUSKQNP-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.23
Rot. Bonds5

About 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide

2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 60843073) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID60843073
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2OS/c1-8(2)16-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyPTFOCUDGUSKQNP-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(prop-2-ynylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79286741
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62832181
4-amino-2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 80543411
5-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pentanamide
CID 43699502
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide (CID 60843073) is 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is CC(C)NCC(=O)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is PTFOCUDGUSKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-8(2)16-7-11(18)17-9-3-5-10(6-4-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 292.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 60843073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).