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

C18H26N2O2S — CID 3438532

IUPACN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C18H26N2O2S/c21-16(13-15-9-6-12-23-15)20-18(10-4-1-5-11-18)17(22)19-14-7-2-3-8-14/h6,9,12,14H,1-5,7-8,10-11,13H2,(H,19,22)(H,20,21)
InChIKeyXCLHBNFLISRIDL-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.17
Rot. Bonds5

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

N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 3438532) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID3438532
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C18H26N2O2S/c21-16(13-15-9-6-12-23-15)20-18(10-4-1-5-11-18)17(22)19-14-7-2-3-8-14/h6,9,12,14H,1-5,7-8,10-11,13H2,(H,19,22)(H,20,21)
InChIKeyXCLHBNFLISRIDL-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (CID 3438532) is N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is XCLHBNFLISRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-16(13-15-9-6-12-23-15)20-18(10-4-1-5-11-18)17(22)19-14-7-2-3-8-14/h6,9,12,14H,1-5,7-8,10-11,13H2,(H,19,22)(H,20,21).
What are the key properties of N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3438532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).