2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide

C15H17F3N2O4S — CID 113175285

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O4S/c1-10(21)20(13-4-2-11(3-5-13)15(16,17)18)8-14(22)19-12-6-7-25(23,24)9-12/h2-5,12H,6-9H2,1H3,(H,19,22)
InChIKeyRPNRWXFCFLIWKN-UHFFFAOYSA-N
MW378.37 g/mol
LogP1.36
Rot. Bonds4

About 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113175285) has the molecular formula C15H17F3N2O4S and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113175285
Molecular FormulaC15H17F3N2O4S
Molecular Weight378.37 g/mol
Exact Mass378.09
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O4S/c1-10(21)20(13-4-2-11(3-5-13)15(16,17)18)8-14(22)19-12-6-7-25(23,24)9-12/h2-5,12H,6-9H2,1H3,(H,19,22)
InChIKeyRPNRWXFCFLIWKN-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
3-(N-acetyl-4-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126548
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
3-(N-acetyl-4-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113135059
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42961132
(E)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 97462505
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 97462506
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-N-propan-2-ylanilino)acetamide
CID 51103962
3-[[N,N'-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 111299639
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113174068
3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113175285) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is RPNRWXFCFLIWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4S/c1-10(21)20(13-4-2-11(3-5-13)15(16,17)18)8-14(22)19-12-6-7-25(23,24)9-12/h2-5,12H,6-9H2,1H3,(H,19,22).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113175285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).