2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide

C16H16BrNO2S — CID 64793360

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C16H16BrNO2S/c1-11-8-13(17)4-7-15(11)21-10-16(20)18-14-5-2-12(9-19)3-6-14/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyLIBKUKSPQSHNRH-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide (PubChem CID 64793360) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
PubChem CID64793360
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C16H16BrNO2S/c1-11-8-13(17)4-7-15(11)21-10-16(20)18-14-5-2-12(9-19)3-6-14/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyLIBKUKSPQSHNRH-UHFFFAOYSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 34206787
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478563
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 5091800
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-bromo-2-methylphenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 25343377
N-(4-acetamidophenyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 26499660

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide (CID 64793360) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is LIBKUKSPQSHNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11-8-13(17)4-7-15(11)21-10-16(20)18-14-5-2-12(9-19)3-6-14/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 366.28 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 64793360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).