2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide

C14H13FN2O2S2 — CID 7254924

IUPAC2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-9-1-3-10(4-2-9)20-8-6-12(18)17-14-11(13(16)19)5-7-21-14/h1-5,7H,6,8H2,(H2,16,19)(H,17,18)
InChIKeyXQZZMLVRSUOYDC-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.11
Rot. Bonds6

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

2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide (PubChem CID 7254924) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
PubChem CID7254924
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-9-1-3-10(4-2-9)20-8-6-12(18)17-14-11(13(16)19)5-7-21-14/h1-5,7H,6,8H2,(H2,16,19)(H,17,18)
InChIKeyXQZZMLVRSUOYDC-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
CID 7546520
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9133741
2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2496108
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide (CID 7254924) is 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide?
The InChIKey is XQZZMLVRSUOYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c15-9-1-3-10(4-2-9)20-8-6-12(18)17-14-11(13(16)19)5-7-21-14/h1-5,7H,6,8H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide?
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 7254924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).