N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C20H32N4O5S2 — CID 20628894

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O5S2/c1-16(2)30(26,27)22-18-10-14-23(15-11-18)20(25)21-17-6-8-19(9-7-17)31(28,29)24-12-4-3-5-13-24/h6-9,16,18,22H,3-5,10-15H2,1-2H3,(H,21,25)
InChIKeyIDOLELDCGLZVFR-UHFFFAOYSA-N
MW472.63 g/mol
LogP2.19
Rot. Bonds6

About N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20628894) has the molecular formula C20H32N4O5S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20628894
Molecular FormulaC20H32N4O5S2
Molecular Weight472.63 g/mol
Exact Mass472.18
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C20H32N4O5S2/c1-16(2)30(26,27)22-18-10-14-23(15-11-18)20(25)21-17-6-8-19(9-7-17)31(28,29)24-12-4-3-5-13-24/h6-9,16,18,22H,3-5,10-15H2,1-2H3,(H,21,25)
InChIKeyIDOLELDCGLZVFR-UHFFFAOYSA-N
XLogP2.19
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)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

N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630279
3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 47038794
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
cyclooctyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium
CID 7509633
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628885
(2R)-2-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2369628
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20628894) is N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is IDOLELDCGLZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5S2/c1-16(2)30(26,27)22-18-10-14-23(15-11-18)20(25)21-17-6-8-19(9-7-17)31(28,29)24-12-4-3-5-13-24/h6-9,16,18,22H,3-5,10-15H2,1-2H3,(H,21,25).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20628894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).