N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride

C16H21ClN2O2S — CID 52985337

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(CNC(=O)c1cccs1)N(C)C.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-18(2)13(12-7-4-5-8-14(12)20-3)11-17-16(19)15-9-6-10-21-15;/h4-10,13H,11H2,1-3H3,(H,17,19);1H
InChIKeyJPYSVWYTPUMKNW-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 52985337) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID52985337
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(CNC(=O)c1cccs1)N(C)C.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-18(2)13(12-7-4-5-8-14(12)20-3)11-17-16(19)15-9-6-10-21-15;/h4-10,13H,11H2,1-3H3,(H,17,19);1H
InChIKeyJPYSVWYTPUMKNW-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride (CID 52985337) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride is COc1ccccc1C(CNC(=O)c1cccs1)N(C)C.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is JPYSVWYTPUMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-18(2)13(12-7-4-5-8-14(12)20-3)11-17-16(19)15-9-6-10-21-15;/h4-10,13H,11H2,1-3H3,(H,17,19);1H.
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 52985337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).