4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

C23H31N3O3S — CID 17461919

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-9-5-6-10-21(18)25-30(28,29)20-13-11-19(12-14-20)22(27)24-17-23(2,3)26-15-7-4-8-16-26/h5-6,9-14,25H,4,7-8,15-17H2,1-3H3,(H,24,27)
InChIKeyFGUUBZZWIVWHLD-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.79
Rot. Bonds7

About 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (PubChem CID 17461919) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
PubChem CID17461919
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-18-9-5-6-10-21(18)25-30(28,29)20-13-11-19(12-14-20)22(27)24-17-23(2,3)26-15-7-4-8-16-26/h5-6,9-14,25H,4,7-8,15-17H2,1-3H3,(H,24,27)
InChIKeyFGUUBZZWIVWHLD-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 24982802
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 32766654
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
4-[(2-methylphenyl)sulfamoyl]-N-(2-piperidin-1-yl-3-pyridinyl)benzamide
CID 55981480
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
tert-butyl 4-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 31351989
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
1-tert-butyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]thiourea
CID 9275720
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (CID 17461919) is 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The InChIKey is FGUUBZZWIVWHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-9-5-6-10-21(18)25-30(28,29)20-13-11-19(12-14-20)22(27)24-17-23(2,3)26-15-7-4-8-16-26/h5-6,9-14,25H,4,7-8,15-17H2,1-3H3,(H,24,27).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 17461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).