N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride

C14H16BrClN2OS — CID 24761079

IUPACN-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CNCc2cccs2)cc1Br.Cl
InChIInChI=1S/C14H15BrN2OS.ClH/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12;/h2-7,16H,8-9H2,1H3,(H,17,18);1H
InChIKeyYYCISWZWWSUORC-UHFFFAOYSA-N
MW375.72 g/mol
LogP3.97
Rot. Bonds5

About N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride

N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 24761079) has the molecular formula C14H16BrClN2OS and a molecular weight of 375.72 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
PubChem CID24761079
Molecular FormulaC14H16BrClN2OS
Molecular Weight375.72 g/mol
Exact Mass373.99
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CNCc2cccs2)cc1Br.Cl
InChIInChI=1S/C14H15BrN2OS.ClH/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12;/h2-7,16H,8-9H2,1H3,(H,17,18);1H
InChIKeyYYCISWZWWSUORC-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.72
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride (CID 24761079) is N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride is Cc1ccc(NC(=O)CNCc2cccs2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is YYCISWZWWSUORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS.ClH/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12;/h2-7,16H,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 375.72 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 24761079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).