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

C24H36N2O3S — CID 3572262

IUPACN-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H36N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h8,12,16,19-20H,1-7,9-11,13-15,17-18H2,(H,25,28)
InChIKeyHFEDOTNVOVTPQR-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.45
Rot. Bonds7

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

N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (PubChem CID 3572262) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
PubChem CID3572262
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC NameN-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H36N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h8,12,16,19-20H,1-7,9-11,13-15,17-18H2,(H,25,28)
InChIKeyHFEDOTNVOVTPQR-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide (CID 3572262) is N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is O=C(Cc1cccs1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
The InChIKey is HFEDOTNVOVTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c27-22(17-21-12-8-16-30-21)26(18-20-11-7-15-29-20)24(13-5-2-6-14-24)23(28)25-19-9-3-1-4-10-19/h8,12,16,19-20H,1-7,9-11,13-15,17-18H2,(H,25,28).
What are the key properties of N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide?
N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 3572262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).