4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C23H26N4O3S2 — CID 26129310

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C23H26N4O3S2/c1-17-7-3-4-8-21(17)26-32(29,30)20-11-9-18(10-12-20)22(28)25-23-24-19(16-31-23)15-27-13-5-2-6-14-27/h3-4,7-12,16,26H,2,5-6,13-15H2,1H3,(H,24,25,28)
InChIKeyVKFUARLTRTZBQP-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.49
Rot. Bonds7

About 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 26129310) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID26129310
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C23H26N4O3S2/c1-17-7-3-4-8-21(17)26-32(29,30)20-11-9-18(10-12-20)22(28)25-23-24-19(16-31-23)15-27-13-5-2-6-14-27/h3-4,7-12,16,26H,2,5-6,13-15H2,1H3,(H,24,25,28)
InChIKeyVKFUARLTRTZBQP-UHFFFAOYSA-N
XLogP4.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 24648453
3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 26129310) is 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VKFUARLTRTZBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-17-7-3-4-8-21(17)26-32(29,30)20-11-9-18(10-12-20)22(28)25-23-24-19(16-31-23)15-27-13-5-2-6-14-27/h3-4,7-12,16,26H,2,5-6,13-15H2,1H3,(H,24,25,28).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 470.62 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 26129310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).