N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride

C17H23ClN2O2S — CID 120651028

IUPACN-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(OCc2cccs2)c1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-3-18-13(2)11-19-17(20)14-6-4-7-15(10-14)21-12-16-8-5-9-22-16;/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1
InChIKeyNDIIQYQLNRNRFT-BTQNPOSSSA-N
MW354.90 g/mol
LogP3.48
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride (PubChem CID 120651028) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
PubChem CID120651028
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(OCc2cccs2)c1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-3-18-13(2)11-19-17(20)14-6-4-7-15(10-14)21-12-16-8-5-9-22-16;/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1
InChIKeyNDIIQYQLNRNRFT-BTQNPOSSSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
N-[(2R)-2-(ethylamino)propyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120654182
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55879396
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride (CID 120651028) is N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cccc(OCc2cccs2)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
The InChIKey is NDIIQYQLNRNRFT-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c1-3-18-13(2)11-19-17(20)14-6-4-7-15(10-14)21-12-16-8-5-9-22-16;/h4-10,13,18H,3,11-12H2,1-2H3,(H,19,20);1H/t13-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 120651028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).