1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C24H31N3O5S — CID 20973116

IUPAC1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-17(2)16-25-23(28)18-11-13-27(14-12-18)24(29)19-7-9-20(10-8-19)26-33(30,31)22-6-4-5-21(15-22)32-3/h4-10,15,17-18,26H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyZPDVTVIZDDQGGG-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.12
Rot. Bonds8

About 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 20973116) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID20973116
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-17(2)16-25-23(28)18-11-13-27(14-12-18)24(29)19-7-9-20(10-8-19)26-33(30,31)22-6-4-5-21(15-22)32-3/h4-10,15,17-18,26H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyZPDVTVIZDDQGGG-UHFFFAOYSA-N
XLogP3.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50826971
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984649
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 55954327
N-butyl-1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830822
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 20973116) is 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide is COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is ZPDVTVIZDDQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17(2)16-25-23(28)18-11-13-27(14-12-18)24(29)19-7-9-20(10-8-19)26-33(30,31)22-6-4-5-21(15-22)32-3/h4-10,15,17-18,26H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20973116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).