N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide

C22H34N2O3S — CID 4233826

IUPACN-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C22H34N2O3S/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-18-11-7-13-27-18)20(25)15-19-12-8-14-28-19/h8,12,14,17-18H,3-7,9-11,13,15-16H2,1-2H3,(H,23,26)
InChIKeyUAJUVAFSWCKEKJ-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.92
Rot. Bonds8

About N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide

N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide (PubChem CID 4233826) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide
PubChem CID4233826
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C22H34N2O3S/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-18-11-7-13-27-18)20(25)15-19-12-8-14-28-19/h8,12,14,17-18H,3-7,9-11,13,15-16H2,1-2H3,(H,23,26)
InChIKeyUAJUVAFSWCKEKJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2-(2-thienyl)-
CID 531782
N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide
CID 647779
Thiophene-2-carboxylic acid {[[(1,1-dimethyl-propylcarbamoyl)-p-tolyl-methyl]-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3215809
N-cyclohexyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3572262
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3206823
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 24646132
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
(4R)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-4-[(2-thienylacetyl)amino]-L-prolinamide
CID 72887628
N-cyclopentyl-2-methyl-2-(N-methyl-2-(thiophen-2-yl)acetamido)butanamide
CID 3886247
N-(2-Methoxyethyl)-2-methyl-5-oxo-1-[2-(thiophen-2-YL)ethyl]pyrrolidine-2-carboxamide
CID 46363716
N1-((tetrahydrofuran-2-yl)methyl)-N2-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)oxalamide
CID 71787144

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide (CID 4233826) is N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide is CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide?
The InChIKey is UAJUVAFSWCKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-3-22(2,21(26)23-17-9-5-4-6-10-17)24(16-18-11-7-13-27-18)20(25)15-19-12-8-14-28-19/h8,12,14,17-18H,3-7,9-11,13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide?
N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide has a molecular weight of 406.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 4233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).