N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C18H17BrN2O3S3 — CID 16837922

IUPACN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1
InChIInChI=1S/C18H17BrN2O3S3/c1-11(2)27(23,24)13-5-3-12(4-6-13)9-17(22)21-18-20-14(10-25-18)15-7-8-16(19)26-15/h3-8,10-11H,9H2,1-2H3,(H,20,21,22)
InChIKeyMNXWOKHXCQSCEI-UHFFFAOYSA-N
MW485.45 g/mol
LogP5.00
Rot. Bonds6

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16837922) has the molecular formula C18H17BrN2O3S3 and a molecular weight of 485.45 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16837922
Molecular FormulaC18H17BrN2O3S3
Molecular Weight485.45 g/mol
Exact Mass483.96
IUPAC NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1
InChIInChI=1S/C18H17BrN2O3S3/c1-11(2)27(23,24)13-5-3-12(4-6-13)9-17(22)21-18-20-14(10-25-18)15-7-8-16(19)26-15/h3-8,10-11H,9H2,1-2H3,(H,20,21,22)
InChIKeyMNXWOKHXCQSCEI-UHFFFAOYSA-N
XLogP5.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16837922) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is MNXWOKHXCQSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3S3/c1-11(2)27(23,24)13-5-3-12(4-6-13)9-17(22)21-18-20-14(10-25-18)15-7-8-16(19)26-15/h3-8,10-11H,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 485.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16837922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).