2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

C17H16BrN3O3S3 — CID 55884476

IUPAC2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1
InChIInChI=1S/C17H16BrN3O3S3/c1-19-27(23,24)14-4-2-3-11(5-14)8-20-16(22)7-13-10-26-17(21-13)15-6-12(18)9-25-15/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyDLNOZGYLDJCKEA-UHFFFAOYSA-N
MW486.44 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 55884476) has the molecular formula C17H16BrN3O3S3 and a molecular weight of 486.44 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
PubChem CID55884476
Molecular FormulaC17H16BrN3O3S3
Molecular Weight486.44 g/mol
Exact Mass484.95
IUPAC Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1
InChIInChI=1S/C17H16BrN3O3S3/c1-19-27(23,24)14-4-2-3-11(5-14)8-20-16(22)7-13-10-26-17(21-13)15-6-12(18)9-25-15/h2-6,9-10,19H,7-8H2,1H3,(H,20,22)
InChIKeyDLNOZGYLDJCKEA-UHFFFAOYSA-N
XLogP3.40
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 9455412
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391
3-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119236509
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 55857445
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 55884855
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55884605
4-[[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 29139384
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55855510
propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 56546933
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38970613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide (CID 55884476) is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is CNS(=O)(=O)c1cccc(CNC(=O)Cc2csc(-c3cc(Br)cs3)n2)c1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is DLNOZGYLDJCKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S3/c1-19-27(23,24)14-4-2-3-11(5-14)8-20-16(22)7-13-10-26-17(21-13)15-6-12(18)9-25-15/h2-6,9-10,19H,7-8H2,1H3,(H,20,22).
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide?
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 486.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).