N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide

C20H28N2OS2 — CID 66994303

IUPACN-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
SMILESCN(C)C(c1cccs1)C1CCC(CNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H28N2OS2/c1-22(2)20(18-6-4-12-25-18)16-9-7-15(8-10-16)14-21-19(23)13-17-5-3-11-24-17/h3-6,11-12,15-16,20H,7-10,13-14H2,1-2H3,(H,21,23)
InChIKeyJAPWTEXGJRLUSH-UHFFFAOYSA-N
MW376.59 g/mol
LogP4.58
Rot. Bonds7

About N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide

N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 66994303) has the molecular formula C20H28N2OS2 and a molecular weight of 376.59 g/mol. Its IUPAC name is N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID66994303
Molecular FormulaC20H28N2OS2
Molecular Weight376.59 g/mol
Exact Mass376.16
IUPAC NameN-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
SMILESCN(C)C(c1cccs1)C1CCC(CNC(=O)Cc2cccs2)CC1
InChIInChI=1S/C20H28N2OS2/c1-22(2)20(18-6-4-12-25-18)16-9-7-15(8-10-16)14-21-19(23)13-17-5-3-11-24-17/h3-6,11-12,15-16,20H,7-10,13-14H2,1-2H3,(H,21,23)
InChIKeyJAPWTEXGJRLUSH-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-1-benzothiophene-3-carboxamide
CID 91537731
N-[2-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]ethyl]-4-fluorobenzamide
CID 66993904
1-[4-(aminomethyl)cyclohexyl]-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 24739735
2-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]acetamide
CID 66702656
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
1-cyclohexyl-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 68703727
N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 140543006
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 66994392
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
CID 98136078

Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide (CID 66994303) is N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide is CN(C)C(c1cccs1)C1CCC(CNC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is JAPWTEXGJRLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2OS2/c1-22(2)20(18-6-4-12-25-18)16-9-7-15(8-10-16)14-21-19(23)13-17-5-3-11-24-17/h3-6,11-12,15-16,20H,7-10,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide?
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 376.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 66994303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).