N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride

C20H29ClN2O2S — CID 119657241

IUPACN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCC(N)C(C)C)sc2C)cc1.Cl
InChIInChI=1S/C20H28N2O2S.ClH/c1-13(2)18(21)10-11-22(4)20(23)19-12-17(14(3)25-19)15-6-8-16(24-5)9-7-15;/h6-9,12-13,18H,10-11,21H2,1-5H3;1H
InChIKeyXXWHIJQMSJFKOR-UHFFFAOYSA-N
MW396.98 g/mol
LogP4.60
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride (PubChem CID 119657241) has the molecular formula C20H29ClN2O2S and a molecular weight of 396.98 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
PubChem CID119657241
Molecular FormulaC20H29ClN2O2S
Molecular Weight396.98 g/mol
Exact Mass396.16
IUPAC NameN-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCC(N)C(C)C)sc2C)cc1.Cl
InChIInChI=1S/C20H28N2O2S.ClH/c1-13(2)18(21)10-11-22(4)20(23)19-12-17(14(3)25-19)15-6-8-16(24-5)9-7-15;/h6-9,12-13,18H,10-11,21H2,1-5H3;1H
InChIKeyXXWHIJQMSJFKOR-UHFFFAOYSA-N
XLogP4.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.98
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78798322
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
N-(3-amino-4-methylpentyl)-N,5-dimethyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119659634
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
CID 167890274
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 55392246
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
CID 119657897
N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
CID 119658907
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride (CID 119657241) is N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride is COc1ccc(-c2cc(C(=O)N(C)CCC(N)C(C)C)sc2C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride?
The InChIKey is XXWHIJQMSJFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S.ClH/c1-13(2)18(21)10-11-22(4)20(23)19-12-17(14(3)25-19)15-6-8-16(24-5)9-7-15;/h6-9,12-13,18H,10-11,21H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride has a molecular weight of 396.98 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119657241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).