4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

C23H29N3O5S — CID 30855543

IUPAC4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-16(2)23(28)26-14-12-18(13-15-26)24-22(27)17-4-10-21(11-5-17)32(29,30)25-19-6-8-20(31-3)9-7-19/h4-11,16,18,25H,12-15H2,1-3H3,(H,24,27)
InChIKeyNVFQKYBDNHDKEK-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.87
Rot. Bonds7

About 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide

4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 30855543) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
PubChem CID30855543
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-16(2)23(28)26-14-12-18(13-15-26)24-22(27)17-4-10-21(11-5-17)32(29,30)25-19-6-8-20(31-3)9-7-19/h4-11,16,18,25H,12-15H2,1-3H3,(H,24,27)
InChIKeyNVFQKYBDNHDKEK-UHFFFAOYSA-N
XLogP2.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
2-(4-methoxyanilino)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 55718269
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
4-(diethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542801
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide (CID 30855543) is 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is NVFQKYBDNHDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-16(2)23(28)26-14-12-18(13-15-26)24-22(27)17-4-10-21(11-5-17)32(29,30)25-19-6-8-20(31-3)9-7-19/h4-11,16,18,25H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide?
4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfamoyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 30855543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).