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

C19H27ClN2O3S — CID 2959173

IUPACN-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2cccs2)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C19H26N2O3S.ClH/c1-19(2,3)21-18(22)13-24-16-8-7-14(10-17(16)23-4)11-20-12-15-6-5-9-25-15;/h5-10,20H,11-13H2,1-4H3,(H,21,22);1H
InChIKeyWXGHMTPNHFESMB-UHFFFAOYSA-N
MW398.96 g/mol
LogP3.76
Rot. Bonds8

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

N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2959173) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2959173
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC NameN-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2cccs2)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C19H26N2O3S.ClH/c1-19(2,3)21-18(22)13-24-16-8-7-14(10-17(16)23-4)11-20-12-15-6-5-9-25-15;/h5-10,20H,11-13H2,1-4H3,(H,21,22);1H
InChIKeyWXGHMTPNHFESMB-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(thiophen-2-ylmethyl)acetamide
CID 8551532
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
N-ethyl-2-(2-hydroxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510666
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2959173) is N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is COc1cc(CNCc2cccs2)ccc1OCC(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is WXGHMTPNHFESMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S.ClH/c1-19(2,3)21-18(22)13-24-16-8-7-14(10-17(16)23-4)11-20-12-15-6-5-9-25-15;/h5-10,20H,11-13H2,1-4H3,(H,21,22);1H.
What are the key properties of N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 398.96 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2959173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).