N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

C18H25ClN2O2S — CID 2964136

IUPACN-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-18(2,3)20-17(21)13-22-15-8-6-14(7-9-15)11-19-12-16-5-4-10-23-16;/h4-10,19H,11-13H2,1-3H3,(H,20,21);1H
InChIKeyJHGFOPNXUYBFQU-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.75
Rot. Bonds7

About N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2964136) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2964136
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC NameN-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-18(2,3)20-17(21)13-22-15-8-6-14(7-9-15)11-19-12-16-5-4-10-23-16;/h4-10,19H,11-13H2,1-3H3,(H,20,21);1H
InChIKeyJHGFOPNXUYBFQU-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2964136) is N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccc(CNCc2cccs2)cc1.Cl.
What is the InChIKey of N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is JHGFOPNXUYBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.ClH/c1-18(2,3)20-17(21)13-22-15-8-6-14(7-9-15)11-19-12-16-5-4-10-23-16;/h4-10,19H,11-13H2,1-3H3,(H,20,21);1H.
What are the key properties of N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2964136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).