N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C23H36N2O4S — CID 20630560

IUPACN-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1
InChIInChI=1S/C23H36N2O4S/c1-4-17-15-20(13-14-22(17)29-21-7-5-6-8-21)24-23(26)18-9-11-19(12-10-18)25-30(27,28)16(2)3/h13-16,18-19,21,25H,4-12H2,1-3H3,(H,24,26)
InChIKeyAWUBAUBMTJLNNM-UHFFFAOYSA-N
MW436.62 g/mol
LogP4.40
Rot. Bonds8

About N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630560) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630560
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC NameN-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1
InChIInChI=1S/C23H36N2O4S/c1-4-17-15-20(13-14-22(17)29-21-7-5-6-8-21)24-23(26)18-9-11-19(12-10-18)25-30(27,28)16(2)3/h13-16,18-19,21,25H,4-12H2,1-3H3,(H,24,26)
InChIKeyAWUBAUBMTJLNNM-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-cyclopentyloxy-3-ethylanilino)-hydroxymethyl]cyclohexyl]propane-2-sulfonamide
CID 71168776
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-(6-butoxy-3-pyridinyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630803
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20630560) is N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CCc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1.
What is the InChIKey of N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is AWUBAUBMTJLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-4-17-15-20(13-14-22(17)29-21-7-5-6-8-21)24-23(26)18-9-11-19(12-10-18)25-30(27,28)16(2)3/h13-16,18-19,21,25H,4-12H2,1-3H3,(H,24,26).
What are the key properties of N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 436.62 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).