5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

C24H33N3O4S — CID 1064358

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O4S/c1-17(2)16-25-24(28)22-15-19(5-10-23(22)27-13-11-18(3)12-14-27)26-32(29,30)21-8-6-20(31-4)7-9-21/h5-10,15,17-18,26H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyBTOQOASGFPUDOR-UHFFFAOYSA-N
MW459.61 g/mol
LogP4.12
Rot. Bonds8

About 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 1064358) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID1064358
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1
InChIInChI=1S/C24H33N3O4S/c1-17(2)16-25-24(28)22-15-19(5-10-23(22)27-13-11-18(3)12-14-27)26-32(29,30)21-8-6-20(31-4)7-9-21/h5-10,15,17-18,26H,11-14,16H2,1-4H3,(H,25,28)
InChIKeyBTOQOASGFPUDOR-UHFFFAOYSA-N
XLogP4.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 42751667
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 1064347
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063125
5-[(2,5-dimethoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50766586
5-[(2-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063129
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42751524
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-[(2,6-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4267155
5-[(2,4-difluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1064068
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4207320

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (CID 1064358) is 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NCC(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is BTOQOASGFPUDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-17(2)16-25-24(28)22-15-19(5-10-23(22)27-13-11-18(3)12-14-27)26-32(29,30)21-8-6-20(31-4)7-9-21/h5-10,15,17-18,26H,11-14,16H2,1-4H3,(H,25,28).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 459.61 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1064358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).