N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide

C12H10BrNOS2 — CID 3334524

IUPACN-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15)
InChIKeyOMRKZGFACVWIAV-UHFFFAOYSA-N
MW328.26 g/mol
LogP4.24
Rot. Bonds4

About N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide

N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 3334524) has the molecular formula C12H10BrNOS2 and a molecular weight of 328.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID3334524
Molecular FormulaC12H10BrNOS2
Molecular Weight328.26 g/mol
Exact Mass326.94
IUPAC NameN-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15)
InChIKeyOMRKZGFACVWIAV-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
2-hydroxy-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 43358292
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 43066844
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623
N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 29295581
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
N-quinolin-3-yl-2-thiophen-2-ylsulfanylacetamide
CID 23972923

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide (CID 3334524) is N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is OMRKZGFACVWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS2/c13-9-3-5-10(6-4-9)14-11(15)8-17-12-2-1-7-16-12/h1-7H,8H2,(H,14,15).
What are the key properties of N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 328.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 3334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).