N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C22H28N2O3S — CID 47921780

IUPACN-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)CN(C)C(=O)c3cccs3)CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-24(21(26)19-7-6-14-28-19)15-20(25)23-16-22(12-4-3-5-13-22)17-8-10-18(27-2)11-9-17/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMAXXQDGWOWKOJJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 47921780) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID47921780
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)CN(C)C(=O)c3cccs3)CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-24(21(26)19-7-6-14-28-19)15-20(25)23-16-22(12-4-3-5-13-22)17-8-10-18(27-2)11-9-17/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMAXXQDGWOWKOJJ-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51124684
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
3-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoyl-methylamino]propanoic acid
CID 122009760
2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522244
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
N-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 86985377
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
tert-butyl N-[4-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-4-oxobutyl]carbamate
CID 60587048

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 47921780) is N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is COc1ccc(C2(CNC(=O)CN(C)C(=O)c3cccs3)CCCCC2)cc1.
What is the InChIKey of N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MAXXQDGWOWKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-24(21(26)19-7-6-14-28-19)15-20(25)23-16-22(12-4-3-5-13-22)17-8-10-18(27-2)11-9-17/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47921780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).