N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C22H27N3O4S — CID 20630393

IUPACN-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16(2)30(28,29)24-20-12-14-25(15-13-20)22(27)23-19-10-8-18(9-11-19)21(26)17-6-4-3-5-7-17/h3-11,16,20,24H,12-15H2,1-2H3,(H,23,27)
InChIKeyWZDZBVVXLHJBCK-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.24
Rot. Bonds6

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

N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630393) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
PubChem CID20630393
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-16(2)30(28,29)24-20-12-14-25(15-13-20)22(27)23-19-10-8-18(9-11-19)21(26)17-6-4-3-5-7-17/h3-11,16,20,24H,12-15H2,1-2H3,(H,23,27)
InChIKeyWZDZBVVXLHJBCK-UHFFFAOYSA-N
XLogP3.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890
N-[4-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628885
N-(1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630887
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630265
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The IUPAC name of N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630393) is N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
The InChIKey is WZDZBVVXLHJBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-16(2)30(28,29)24-20-12-14-25(15-13-20)22(27)23-19-10-8-18(9-11-19)21(26)17-6-4-3-5-7-17/h3-11,16,20,24H,12-15H2,1-2H3,(H,23,27).
What are the key properties of N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).