N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C21H27NO3S2 — CID 154805168

IUPACN-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCS(=O)C1CCCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1
InChIInChI=1S/C21H27NO3S2/c1-4-27(24)18-7-5-6-16(12-18)22-21(23)20-13-19(14(2)26-20)15-8-10-17(25-3)11-9-15/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,22,23)
InChIKeyXWPRTZFKGGZWKP-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.54
Rot. Bonds6

About N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 154805168) has the molecular formula C21H27NO3S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID154805168
Molecular FormulaC21H27NO3S2
Molecular Weight405.59 g/mol
Exact Mass405.14
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCS(=O)C1CCCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1
InChIInChI=1S/C21H27NO3S2/c1-4-27(24)18-7-5-6-16(12-18)22-21(23)20-13-19(14(2)26-20)15-8-10-17(25-3)11-9-15/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,22,23)
InChIKeyXWPRTZFKGGZWKP-UHFFFAOYSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 78868483
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
1-(3-ethylsulfinylcyclohexyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 109438806
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 109437513
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[2-(4-methylphenoxy)propyl]guanidine
CID 109439737
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
1-(3-ethylsulfinylcyclohexyl)-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 109436883
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 154805168) is N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is CCS(=O)C1CCCC(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is XWPRTZFKGGZWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S2/c1-4-27(24)18-7-5-6-16(12-18)22-21(23)20-13-19(14(2)26-20)15-8-10-17(25-3)11-9-15/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,22,23).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 154805168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).