3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide

C17H12FNO2S2 — CID 121131635

IUPAC3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(F)c1
InChIInChI=1S/C17H12FNO2S2/c18-12-4-1-3-11(9-12)17(21)19-10-13-6-7-15(23-13)16(20)14-5-2-8-22-14/h1-9H,10H2,(H,19,21)
InChIKeyFLSIJUWZGXTBEE-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.11
Rot. Bonds5

About 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide

3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 121131635) has the molecular formula C17H12FNO2S2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID121131635
Molecular FormulaC17H12FNO2S2
Molecular Weight345.42 g/mol
Exact Mass345.03
IUPAC Name3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(F)c1
InChIInChI=1S/C17H12FNO2S2/c18-12-4-1-3-11(9-12)17(21)19-10-13-6-7-15(23-13)16(20)14-5-2-8-22-14/h1-9H,10H2,(H,19,21)
InChIKeyFLSIJUWZGXTBEE-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 71803384
2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
CID 121131705
2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131720
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (CID 121131635) is 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is FLSIJUWZGXTBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S2/c18-12-4-1-3-11(9-12)17(21)19-10-13-6-7-15(23-13)16(20)14-5-2-8-22-14/h1-9H,10H2,(H,19,21).
What are the key properties of 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 121131635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).