2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

C17H15BrFN5OS — CID 55813762

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(SCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(C)cc1Br
InChIInChI=1S/C17H15BrFN5OS/c1-10-6-16(11(2)5-13(10)18)26-8-17(25)21-15-7-12(3-4-14(15)19)24-9-20-22-23-24/h3-7,9H,8H2,1-2H3,(H,21,25)
InChIKeyYCDUYGHHJRMONH-UHFFFAOYSA-N
MW436.31 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55813762) has the molecular formula C17H15BrFN5OS and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55813762
Molecular FormulaC17H15BrFN5OS
Molecular Weight436.31 g/mol
Exact Mass435.02
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(SCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(C)cc1Br
InChIInChI=1S/C17H15BrFN5OS/c1-10-6-16(11(2)5-13(10)18)26-8-17(25)21-15-7-12(3-4-14(15)19)24-9-20-22-23-24/h3-7,9H,8H2,1-2H3,(H,21,25)
InChIKeyYCDUYGHHJRMONH-UHFFFAOYSA-N
XLogP3.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide (CID 55813762) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is Cc1cc(SCC(=O)Nc2cc(-n3cnnn3)ccc2F)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is YCDUYGHHJRMONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5OS/c1-10-6-16(11(2)5-13(10)18)26-8-17(25)21-15-7-12(3-4-14(15)19)24-9-20-22-23-24/h3-7,9H,8H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 436.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55813762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).