2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide

C16H15F3N2O2S — CID 88511771

IUPAC2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
SMILESCOc1ccc2c(C(=S)CNCC(N)=O)cccc2c1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-23-12-6-5-9-10(13(24)7-21-8-14(20)22)3-2-4-11(9)15(12)16(17,18)19/h2-6,21H,7-8H2,1H3,(H2,20,22)
InChIKeyUMUJVYXKXVBCSQ-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.66
Rot. Bonds6

About 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide

2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide (PubChem CID 88511771) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
PubChem CID88511771
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
SMILESCOc1ccc2c(C(=S)CNCC(N)=O)cccc2c1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-23-12-6-5-9-10(13(24)7-21-8-14(20)22)3-2-4-11(9)15(12)16(17,18)19/h2-6,21H,7-8H2,1H3,(H2,20,22)
InChIKeyUMUJVYXKXVBCSQ-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621618
2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621619
2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
CID 23056911
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
2-[[(Z)-N-(4-bromophenyl)sulfonyl-C-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonimidoyl]-methylamino]acetic acid
CID 14720645
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
(E)-N-ethoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
CID 88957293
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
2,3-dimethoxybenzamide;hydrate
CID 141005510

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide?
The IUPAC name of 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide (CID 88511771) is 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide?
The canonical SMILES for 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide is COc1ccc2c(C(=S)CNCC(N)=O)cccc2c1C(F)(F)F.
What is the InChIKey of 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide?
The InChIKey is UMUJVYXKXVBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-23-12-6-5-9-10(13(24)7-21-8-14(20)22)3-2-4-11(9)15(12)16(17,18)19/h2-6,21H,7-8H2,1H3,(H2,20,22).
What are the key properties of 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide?
2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide has a molecular weight of 356.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide is sourced from PubChem (CID 88511771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).