N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride

C17H22ClN3OS — CID 134307213

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
SMILESCN(C)C(CNC(=O)N1Cc2ccccc2C1)c1ccsc1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-19(2)16(15-7-8-22-12-15)9-18-17(21)20-10-13-5-3-4-6-14(13)11-20;/h3-8,12,16H,9-11H2,1-2H3,(H,18,21);1H
InChIKeyPMHDOVFAQRWGHW-UHFFFAOYSA-N
MW351.90 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride (PubChem CID 134307213) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
PubChem CID134307213
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
SMILESCN(C)C(CNC(=O)N1Cc2ccccc2C1)c1ccsc1.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-19(2)16(15-7-8-22-12-15)9-18-17(21)20-10-13-5-3-4-6-14(13)11-20;/h3-8,12,16H,9-11H2,1-2H3,(H,18,21);1H
InChIKeyPMHDOVFAQRWGHW-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94030968
tert-butyl N-[2-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]-1-thiophen-3-ylethyl]-N-methylcarbamate
CID 138736247
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 166251761

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride (CID 134307213) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride is CN(C)C(CNC(=O)N1Cc2ccccc2C1)c1ccsc1.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride?
The InChIKey is PMHDOVFAQRWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c1-19(2)16(15-7-8-22-12-15)9-18-17(21)20-10-13-5-3-4-6-14(13)11-20;/h3-8,12,16H,9-11H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 134307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).