N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide

C23H24ClN3O3S2 — CID 24504177

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C23H24ClN3O3S2/c24-19-7-3-17(4-8-19)16-27-13-11-20(12-14-27)25-23(28)18-5-9-21(10-6-18)26-32(29,30)22-2-1-15-31-22/h1-10,15,20,26H,11-14,16H2,(H,25,28)
InChIKeyILZWXLXVGHDFSC-UHFFFAOYSA-N
MW490.05 g/mol
LogP4.60
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 24504177) has the molecular formula C23H24ClN3O3S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID24504177
Molecular FormulaC23H24ClN3O3S2
Molecular Weight490.05 g/mol
Exact Mass489.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C23H24ClN3O3S2/c24-19-7-3-17(4-8-19)16-27-13-11-20(12-14-27)25-23(28)18-5-9-21(10-6-18)26-32(29,30)22-2-1-15-31-22/h1-10,15,20,26H,11-14,16H2,(H,25,28)
InChIKeyILZWXLXVGHDFSC-UHFFFAOYSA-N
XLogP4.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 56569161
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18206532
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 24504177) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is ILZWXLXVGHDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S2/c24-19-7-3-17(4-8-19)16-27-13-11-20(12-14-27)25-23(28)18-5-9-21(10-6-18)26-32(29,30)22-2-1-15-31-22/h1-10,15,20,26H,11-14,16H2,(H,25,28).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 490.05 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 24504177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).