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

C17H23N3O3S — CID 20630510

IUPACN-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-12(2)24(22,23)20-16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-4,7-8,12,14,16,20H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyPMSUQIKYLSBLFL-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.38
Rot. Bonds5

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

N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20630510) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20630510
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O3S/c1-12(2)24(22,23)20-16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-4,7-8,12,14,16,20H,5-6,9-10H2,1-2H3,(H,19,21)
InChIKeyPMSUQIKYLSBLFL-UHFFFAOYSA-N
XLogP2.38
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
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-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20630510) is N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is PMSUQIKYLSBLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)24(22,23)20-16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-4,7-8,12,14,16,20H,5-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).