N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride

C19H25ClN2O2S — CID 119474300

IUPACN-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)NC3CCC(N)CC3)sc2C)cc1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-12-17(13-3-9-16(23-2)10-4-13)11-18(24-12)19(22)21-15-7-5-14(20)6-8-15;/h3-4,9-11,14-15H,5-8,20H2,1-2H3,(H,21,22);1H
InChIKeyLISLSGGIIOIEJT-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.15
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 119474300) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID119474300
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)NC3CCC(N)CC3)sc2C)cc1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-12-17(13-3-9-16(23-2)10-4-13)11-18(24-12)19(22)21-15-7-5-14(20)6-8-15;/h3-4,9-11,14-15H,5-8,20H2,1-2H3,(H,21,22);1H
InChIKeyLISLSGGIIOIEJT-UHFFFAOYSA-N
XLogP4.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 78868483
N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 154805168
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119475519
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
N-(4-aminocyclohexyl)-5-(4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 119477809
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride (CID 119474300) is N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride is COc1ccc(-c2cc(C(=O)NC3CCC(N)CC3)sc2C)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is LISLSGGIIOIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-12-17(13-3-9-16(23-2)10-4-13)11-18(24-12)19(22)21-15-7-5-14(20)6-8-15;/h3-4,9-11,14-15H,5-8,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119474300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).