methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate

C15H14FNO3S2 — CID 7546520

IUPACmethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c1-20-15(19)12-6-8-22-14(12)17-13(18)7-9-21-11-4-2-10(16)3-5-11/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyZZBINFGQDBDPIM-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.79
Rot. Bonds6

About methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate

methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate (PubChem CID 7546520) has the molecular formula C15H14FNO3S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
PubChem CID7546520
Molecular FormulaC15H14FNO3S2
Molecular Weight339.41 g/mol
Exact Mass339.04
IUPAC Namemethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c1-20-15(19)12-6-8-22-14(12)17-13(18)7-9-21-11-4-2-10(16)3-5-11/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKeyZZBINFGQDBDPIM-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
CID 7544880
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7546428
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
dimethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017974
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907694
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
methyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
CID 7521418
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate (CID 7546520) is methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate?
The InChIKey is ZZBINFGQDBDPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S2/c1-20-15(19)12-6-8-22-14(12)17-13(18)7-9-21-11-4-2-10(16)3-5-11/h2-6,8H,7,9H2,1H3,(H,17,18).
What are the key properties of methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate?
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 7546520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).