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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Related Compounds

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CID 46883464
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
(2S)-2-[5-(dithiolan-3-yl)pentanoylamino]-N-[(2S)-4-(ethylamino)-3,4-dioxo-1-thiophen-2-ylbutan-2-yl]-3-methylbutanamide
CID 44405295
Proline scaffold, 32
CID 42618129
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
N-Cyclopentyl-2-[phenethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202479
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclopentyl-2-thiophen-3-yl-acetamide
CID 3202484
N-cyclopentyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3242787
N-cyclohexyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3572262

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).