N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide

C24H30N2O2S — CID 3893384

IUPACN-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C24H30N2O2S/c27-22(18-21-14-9-17-29-21)26(20-12-3-1-4-13-20)24(15-7-2-8-16-24)23(28)25-19-10-5-6-11-19/h1,3-4,9,12-14,17,19H,2,5-8,10-11,15-16,18H2,(H,25,28)
InChIKeyLAPUVIAQSRIPHM-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.09
Rot. Bonds6

About N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide

N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide (PubChem CID 3893384) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide
PubChem CID3893384
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C24H30N2O2S/c27-22(18-21-14-9-17-29-21)26(20-12-3-1-4-13-20)24(15-7-2-8-16-24)23(28)25-19-10-5-6-11-19/h1,3-4,9,12-14,17,19H,2,5-8,10-11,15-16,18H2,(H,25,28)
InChIKeyLAPUVIAQSRIPHM-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide (CID 3893384) is N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide?
The InChIKey is LAPUVIAQSRIPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c27-22(18-21-14-9-17-29-21)26(20-12-3-1-4-13-20)24(15-7-2-8-16-24)23(28)25-19-10-5-6-11-19/h1,3-4,9,12-14,17,19H,2,5-8,10-11,15-16,18H2,(H,25,28).
What are the key properties of N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide?
N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(N-(2-thiophen-2-ylacetyl)anilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 3893384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).