2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C18H18F3N3O2S — CID 46419999

IUPAC2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)12-27-15-9-5-4-8-14(15)24-16(25)11-23-17(26)22-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)(H2,22,23,26)
InChIKeyVZBCHQOKBXKFAC-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.78
Rot. Bonds7

About 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 46419999) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID46419999
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)12-27-15-9-5-4-8-14(15)24-16(25)11-23-17(26)22-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)(H2,22,23,26)
InChIKeyVZBCHQOKBXKFAC-UHFFFAOYSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
methyl 2-[[2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetyl]amino]benzoate
CID 43048401
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
2-(benzylcarbamoylamino)-N-(4-tert-butylphenyl)acetamide
CID 24559411

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 46419999) is 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is VZBCHQOKBXKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c19-18(20,21)12-27-15-9-5-4-8-14(15)24-16(25)11-23-17(26)22-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,24,25)(H2,22,23,26).
What are the key properties of 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 46419999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).