1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H28N4O5S — CID 55813040

IUPAC1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C23H28N4O5S/c1-15-7-10-24-21(13-15)25-22(28)16-8-11-27(12-9-16)23(29)17-3-6-19(32-2)20(14-17)33(30,31)26-18-4-5-18/h3,6-7,10,13-14,16,18,26H,4-5,8-9,11-12H2,1-2H3,(H,24,25,28)
InChIKeyPHQVPUSUUGTYRD-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.33
Rot. Bonds7

About 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55813040) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55813040
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C23H28N4O5S/c1-15-7-10-24-21(13-15)25-22(28)16-8-11-27(12-9-16)23(29)17-3-6-19(32-2)20(14-17)33(30,31)26-18-4-5-18/h3,6-7,10,13-14,16,18,26H,4-5,8-9,11-12H2,1-2H3,(H,24,25,28)
InChIKeyPHQVPUSUUGTYRD-UHFFFAOYSA-N
XLogP2.33
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35028668
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-cyclopentyl-2-methoxy-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55644273
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55813040) is 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccn3)CC2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PHQVPUSUUGTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-15-7-10-24-21(13-15)25-22(28)16-8-11-27(12-9-16)23(29)17-3-6-19(32-2)20(14-17)33(30,31)26-18-4-5-18/h3,6-7,10,13-14,16,18,26H,4-5,8-9,11-12H2,1-2H3,(H,24,25,28).
What are the key properties of 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55813040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).