N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

C14H16ClF3N2O2S — CID 8789742

IUPACN-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O2S/c1-2-3-6-19-13(22)20-12(21)8-23-9-4-5-11(15)10(7-9)14(16,17)18/h4-5,7H,2-3,6,8H2,1H3,(H2,19,20,21,22)
InChIKeyFGEAYNCVUXPWNU-UHFFFAOYSA-N
MW368.81 g/mol
LogP4.08
Rot. Bonds6

About N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 8789742) has the molecular formula C14H16ClF3N2O2S and a molecular weight of 368.81 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID8789742
Molecular FormulaC14H16ClF3N2O2S
Molecular Weight368.81 g/mol
Exact Mass368.06
IUPAC NameN-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O2S/c1-2-3-6-19-13(22)20-12(21)8-23-9-4-5-11(15)10(7-9)14(16,17)18/h4-5,7H,2-3,6,8H2,1H3,(H2,19,20,21,22)
InChIKeyFGEAYNCVUXPWNU-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 54.08
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

2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52972735
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
CID 8789689
1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
CID 91876352
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 8789742) is N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is FGEAYNCVUXPWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2S/c1-2-3-6-19-13(22)20-12(21)8-23-9-4-5-11(15)10(7-9)14(16,17)18/h4-5,7H,2-3,6,8H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 368.81 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 8789742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).