N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide

C13H11BrFNOS2 — CID 47250151

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrFNOS2/c14-9-5-10(18-7-9)6-16-13(17)8-19-12-4-2-1-3-11(12)15/h1-5,7H,6,8H2,(H,16,17)
InChIKeyYFJVDKDIUDXQIN-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.06
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 47250151) has the molecular formula C13H11BrFNOS2 and a molecular weight of 360.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID47250151
Molecular FormulaC13H11BrFNOS2
Molecular Weight360.27 g/mol
Exact Mass358.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1cc(Br)cs1
InChIInChI=1S/C13H11BrFNOS2/c14-9-5-10(18-7-9)6-16-13(17)8-19-12-4-2-1-3-11(12)15/h1-5,7H,6,8H2,(H,16,17)
InChIKeyYFJVDKDIUDXQIN-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 3240858
3-(4-bromophenyl)-N-(2-thienylmethyl)acrylamide
CID 887870
3-[(2-fluorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 4987742
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
3-(5-bromothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
CID 22427341
3-(4-Bromobenzenesulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 4299275
2-((4-fluorophenyl)thio)-N-(thiophen-3-ylmethyl)acetamide
CID 45559699
2-(3-Bromothiophen-2-yl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781919
N-[(4-bromothiophen-2-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methylbutanamide
CID 46235558
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
2-[4-Bromo-5-(3-fluorophenyl)sulfanylthiophen-2-yl]ethylcarbamic acid
CID 68924788
N-[(4-bromothiophen-2-yl)methyl]-4-(4-fluorophenyl)sulfanylpentanamide
CID 91239543

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 47250151) is N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is YFJVDKDIUDXQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS2/c14-9-5-10(18-7-9)6-16-13(17)8-19-12-4-2-1-3-11(12)15/h1-5,7H,6,8H2,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 360.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 47250151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).