N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide

C14H12BrNO2S2 — CID 2531312

IUPACN-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H12BrNO2S2/c1-9(17)16-10-2-4-11(5-3-10)19-8-12(18)13-6-7-14(15)20-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeySRFUCLFMWNXHQL-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.44
Rot. Bonds5

About N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 2531312) has the molecular formula C14H12BrNO2S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID2531312
Molecular FormulaC14H12BrNO2S2
Molecular Weight370.29 g/mol
Exact Mass368.95
IUPAC NameN-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H12BrNO2S2/c1-9(17)16-10-2-4-11(5-3-10)19-8-12(18)13-6-7-14(15)20-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeySRFUCLFMWNXHQL-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
Tibrofan
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N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
3-[(4-Bromo-2-fluorophenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210642
N-(4-bromophenyl)-5-methylthiophene-3-carboxamide
CID 2970340
N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide
CID 841870
N-(3-acetylphenyl)-3-[(5-bromothien-2-yl)sulfonyl]propanamide
CID 15988718
N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 307230
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylthiophene-2-carboxamide
CID 25116998
N-(2-fluorophenyl)thiophene-2-carboxamide
CID 532897

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 2531312) is N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is SRFUCLFMWNXHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2S2/c1-9(17)16-10-2-4-11(5-3-10)19-8-12(18)13-6-7-14(15)20-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 370.29 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 2531312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).