N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride

C15H19ClN2O2S — CID 23724426

IUPACN-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(C)cc1NC(=O)CNCc1cccs1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-11-5-6-14(19-2)13(8-11)17-15(18)10-16-9-12-4-3-7-20-12;/h3-8,16H,9-10H2,1-2H3,(H,17,18);1H
InChIKeyCIEJBFCVNUDBNA-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.22
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride

N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 23724426) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
PubChem CID23724426
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride
SMILESCOc1ccc(C)cc1NC(=O)CNCc1cccs1.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-11-5-6-14(19-2)13(8-11)17-15(18)10-16-9-12-4-3-7-20-12;/h3-8,16H,9-10H2,1-2H3,(H,17,18);1H
InChIKeyCIEJBFCVNUDBNA-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride (CID 23724426) is N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride is COc1ccc(C)cc1NC(=O)CNCc1cccs1.Cl.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is CIEJBFCVNUDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-11-5-6-14(19-2)13(8-11)17-15(18)10-16-9-12-4-3-7-20-12;/h3-8,16H,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride?
N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 23724426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).