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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Related Compounds

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
Thiophene-2-carboxylic acid [((4-methyl-benzyl)-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215855
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532
N-cyclopentyl-1-[(tetrahydrofuran-2-ylmethyl)(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3964655
N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)-N~2~-(thiophen-2-ylacetyl)isovalinamide
CID 4233826
N-[2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211246
Thiophene-2-carboxylic acid [(benzyl-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215856
N-cyclohexyl-1-[(thiophen-2-ylacetyl)(thiophen-2-ylmethyl)amino]cyclohexanecarboxamide
CID 5253314
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

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).