2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2S — CID 75416361

IUPAC2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCSCC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c1-2-3-17-5-8(16)13-4-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIFRFXQRPAUHCE-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.92
Rot. Bonds7

About 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75416361) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75416361
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC Name2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCSCC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c1-2-3-17-5-8(16)13-4-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyCIFRFXQRPAUHCE-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-acetyl-N-glycylcysteamine
CID 57219
Ethanethioic acid, S-(2-(((methylamino)acetyl)amino)ethyl) ester, mono(trifluoroacetate)
CID 24837921
S-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethyl] ethanethioate
CID 126660
N-Carbamoylmethyl-2-isopropylsulfanyl-acetamide
CID 2729293
5-oxo-N-(2,2,2-trifluoroethyl)-1,4-thiazepane-3-carboxamide
CID 71798103
2-(Trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yn-5-one
CID 87443130
5-Oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carboxamide
CID 91339404
3-(acetamidomethylsulfanyl)-N-(2,2-difluoroethyl)propanamide
CID 132246185
2,2,2-trifluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]acetamide
CID 141666960
2-Methyl-5-oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carboxamide
CID 145480664
2-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 146414813
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-sulfanylpropanamide
CID 156532680

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75416361) is 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCSCC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CIFRFXQRPAUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c1-2-3-17-5-8(16)13-4-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 272.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylsulfanylacetyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75416361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).