N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride

C19H25ClN2O2S — CID 119474680

IUPACN-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-2-23-16-12-17(13-6-4-3-5-7-13)24-18(16)19(22)21-15-10-8-14(20)9-11-15;/h3-7,12,14-15H,2,8-11,20H2,1H3,(H,21,22);1H
InChIKeyTZMWEXRFKZVFRV-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.24
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride (PubChem CID 119474680) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
PubChem CID119474680
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-2-23-16-12-17(13-6-4-3-5-7-13)24-18(16)19(22)21-15-10-8-14(20)9-11-15;/h3-7,12,14-15H,2,8-11,20H2,1H3,(H,21,22);1H
InChIKeyTZMWEXRFKZVFRV-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
CID 60612363
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride (CID 119474680) is N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride is CCOc1cc(-c2ccccc2)sc1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride?
The InChIKey is TZMWEXRFKZVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-2-23-16-12-17(13-6-4-3-5-7-13)24-18(16)19(22)21-15-10-8-14(20)9-11-15;/h3-7,12,14-15H,2,8-11,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119474680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).