2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide

C17H13BrN2O4S2 — CID 166369763

IUPAC2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H13BrN2O4S2/c18-13-6-8-14(9-7-13)24-10-15(21)20-26(22,23)16-11-25-17(19-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyCDZXXHXIXNMDQV-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide

2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide (PubChem CID 166369763) has the molecular formula C17H13BrN2O4S2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
PubChem CID166369763
Molecular FormulaC17H13BrN2O4S2
Molecular Weight453.34 g/mol
Exact Mass451.95
IUPAC Name2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H13BrN2O4S2/c18-13-6-8-14(9-7-13)24-10-15(21)20-26(22,23)16-11-25-17(19-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyCDZXXHXIXNMDQV-UHFFFAOYSA-N
XLogP3.46
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
2-(4-bromophenoxy)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)acetamide
CID 3432149
(2-carbamoylphenyl) 2-(4-bromophenyl)-1,3-thiazole-4-sulfonate
CID 52813401
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35343656
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
2-(4-nitrophenoxy)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35344762
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
2-[4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]piperidin-1-yl]acetic acid
CID 136533042
2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide
CID 52909987

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide (CID 166369763) is 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide is O=C(COc1ccc(Br)cc1)NS(=O)(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
The InChIKey is CDZXXHXIXNMDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4S2/c18-13-6-8-14(9-7-13)24-10-15(21)20-26(22,23)16-11-25-17(19-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide?
2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide has a molecular weight of 453.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide is sourced from PubChem (CID 166369763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).