1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C22H23ClN4O3S2 — CID 45007870

IUPAC1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H23ClN4O3S2/c23-20-4-2-1-3-17(20)15-27-12-9-16(10-13-27)21(28)25-18-5-7-19(8-6-18)32(29,30)26-22-24-11-14-31-22/h1-8,11,14,16H,9-10,12-13,15H2,(H,24,26)(H,25,28)
InChIKeyREFHLAOYJLDHHJ-UHFFFAOYSA-N
MW491.04 g/mol
LogP4.45
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 45007870) has the molecular formula C22H23ClN4O3S2 and a molecular weight of 491.04 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID45007870
Molecular FormulaC22H23ClN4O3S2
Molecular Weight491.04 g/mol
Exact Mass490.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H23ClN4O3S2/c23-20-4-2-1-3-17(20)15-27-12-9-16(10-13-27)21(28)25-18-5-7-19(8-6-18)32(29,30)26-22-24-11-14-31-22/h1-8,11,14,16H,9-10,12-13,15H2,(H,24,26)(H,25,28)
InChIKeyREFHLAOYJLDHHJ-UHFFFAOYSA-N
XLogP4.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
CID 70789381
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119048
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 121071634
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45017760
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 30364674
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2933069
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
(1R,6R)-6-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 28976910

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 45007870) is 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is REFHLAOYJLDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S2/c23-20-4-2-1-3-17(20)15-27-12-9-16(10-13-27)21(28)25-18-5-7-19(8-6-18)32(29,30)26-22-24-11-14-31-22/h1-8,11,14,16H,9-10,12-13,15H2,(H,24,26)(H,25,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 491.04 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45007870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).