N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C23H27N3O3S — CID 20630288

IUPACN-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C23H27N3O3S/c1-16(2)30(28,29)26-22-13-9-20(10-14-22)23(27)25-21-11-7-19(8-12-21)18-5-3-17(15-24)4-6-18/h3-8,11-12,16,20,22,26H,9-10,13-14H2,1-2H3,(H,25,27)
InChIKeyCDKOAWNZXCPTKE-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.05
Rot. Bonds6

About N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630288) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630288
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccc(C#N)cc3)cc2)CC1
InChIInChI=1S/C23H27N3O3S/c1-16(2)30(28,29)26-22-13-9-20(10-14-22)23(27)25-21-11-7-19(8-12-21)18-5-3-17(15-24)4-6-18/h3-8,11-12,16,20,22,26H,9-10,13-14H2,1-2H3,(H,25,27)
InChIKeyCDKOAWNZXCPTKE-UHFFFAOYSA-N
XLogP4.05
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[4-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630584
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
1-N-butyl-4-N-(4-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109145210
N-[4-[(6S)-3-fluoro-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 59582570
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 172601240

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20630288) is N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccc(C#N)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is CDKOAWNZXCPTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16(2)30(28,29)26-22-13-9-20(10-14-22)23(27)25-21-11-7-19(8-12-21)18-5-3-17(15-24)4-6-18/h3-8,11-12,16,20,22,26H,9-10,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).