N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

C23H34N2O3S — CID 3964655

IUPACN-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H34N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h7,11,15,18-19H,1-6,8-10,12-14,16-17H2,(H,24,27)
InChIKeyTWRMDDCKKZDWAH-UHFFFAOYSA-N
MW418.60 g/mol
LogP4.06
Rot. Bonds7

About N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide

N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 3964655) has the molecular formula C23H34N2O3S and a molecular weight of 418.60 g/mol. Its IUPAC name is N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID3964655
Molecular FormulaC23H34N2O3S
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC NameN-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H34N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h7,11,15,18-19H,1-6,8-10,12-14,16-17H2,(H,24,27)
InChIKeyTWRMDDCKKZDWAH-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide
CID 647779
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-phenyl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3211236
Thiophene-2-carboxylic acid {[[(1,1-dimethyl-propylcarbamoyl)-p-tolyl-methyl]-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3215809
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532
N-cyclohexyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3572262
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
Thiophene-2-carboxylic acid [(benzyl-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215856
N-[1-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 5727075
N1-((tetrahydrofuran-2-yl)methyl)-N2-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)oxalamide
CID 71787144
N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956551
2-methyl-5-oxo-N-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 122174759
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 3153720

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (CID 3964655) is N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is TWRMDDCKKZDWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3S/c26-21(16-20-11-7-15-29-20)25(17-19-10-6-14-28-19)23(12-4-1-5-13-23)22(27)24-18-8-2-3-9-18/h7,11,15,18-19H,1-6,8-10,12-14,16-17H2,(H,24,27).
What are the key properties of N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 418.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).