2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide

C15H15FN2O2S2 — CID 94812447

IUPAC2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESC[C@H](SCC(=O)Nc1sccc1C(N)=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S2/c1-9(10-4-2-3-5-12(10)16)22-8-13(19)18-15-11(14(17)20)6-7-21-15/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19)/t9-/m0/s1
InChIKeyHZCXIEFPBMXVCB-VIFPVBQESA-N
MW338.43 g/mol
LogP3.42
Rot. Bonds6

About 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 94812447) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID94812447
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESC[C@H](SCC(=O)Nc1sccc1C(N)=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S2/c1-9(10-4-2-3-5-12(10)16)22-8-13(19)18-15-11(14(17)20)6-7-21-15/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19)/t9-/m0/s1
InChIKeyHZCXIEFPBMXVCB-VIFPVBQESA-N
XLogP3.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 55913610
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977664
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397868
2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 94806127
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9377128
2-[[2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4852284
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide (CID 94812447) is 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide is C[C@H](SCC(=O)Nc1sccc1C(N)=O)c1ccccc1F.
What is the InChIKey of 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is HZCXIEFPBMXVCB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c1-9(10-4-2-3-5-12(10)16)22-8-13(19)18-15-11(14(17)20)6-7-21-15/h2-7,9H,8H2,1H3,(H2,17,20)(H,18,19)/t9-/m0/s1.
What are the key properties of 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 94812447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).