1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H24N4O5S2 — CID 55951510

IUPAC1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H24N4O5S2/c1-13-12-29-19(20-13)21-17(24)14-8-10-23(11-9-14)18(25)15-4-6-16(7-5-15)30(26,27)22(2)28-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,21,24)
InChIKeyAMKOEDGUAVZTPQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.12
Rot. Bonds6

About 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55951510) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55951510
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC Name1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C19H24N4O5S2/c1-13-12-29-19(20-13)21-17(24)14-8-10-23(11-9-14)18(25)15-4-6-16(7-5-15)30(26,27)22(2)28-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,21,24)
InChIKeyAMKOEDGUAVZTPQ-UHFFFAOYSA-N
XLogP2.12
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(thiophen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 55952664
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperidine-4-carboxamide
CID 55952538
1-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952647
1-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951124

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55951510) is 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is AMKOEDGUAVZTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-13-12-29-19(20-13)21-17(24)14-8-10-23(11-9-14)18(25)15-4-6-16(7-5-15)30(26,27)22(2)28-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,21,24).
What are the key properties of 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methoxy(methyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55951510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).