4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide

C22H36N4O5S2 — CID 20629800

IUPAC4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H36N4O5S2/c1-22(2,3)33(30,31)25-18-12-14-26(15-13-18)21(27)23-19-10-7-11-20(16-19)32(28,29)24-17-8-5-4-6-9-17/h7,10-11,16-18,24-25H,4-6,8-9,12-15H2,1-3H3,(H,23,27)
InChIKeyMSLHARSCZVAYTA-UHFFFAOYSA-N
MW500.69 g/mol
LogP3.01
Rot. Bonds6

About 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 20629800) has the molecular formula C22H36N4O5S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
PubChem CID20629800
Molecular FormulaC22H36N4O5S2
Molecular Weight500.69 g/mol
Exact Mass500.21
IUPAC Name4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H36N4O5S2/c1-22(2,3)33(30,31)25-18-12-14-26(15-13-18)21(27)23-19-10-7-11-20(16-19)32(28,29)24-17-8-5-4-6-9-17/h7,10-11,16-18,24-25H,4-6,8-9,12-15H2,1-3H3,(H,23,27)
InChIKeyMSLHARSCZVAYTA-UHFFFAOYSA-N
XLogP3.01
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
CID 20629976
4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 20629067

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide (CID 20629800) is 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is MSLHARSCZVAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O5S2/c1-22(2,3)33(30,31)25-18-12-14-26(15-13-18)21(27)23-19-10-7-11-20(16-19)32(28,29)24-17-8-5-4-6-9-17/h7,10-11,16-18,24-25H,4-6,8-9,12-15H2,1-3H3,(H,23,27).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 500.69 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20629800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).