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

C24H31N3O5S — CID 50826971

IUPAC1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NCC(C)C)C3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17(2)15-25-23(28)19-5-4-14-27(16-19)24(29)18-6-8-20(9-7-18)26-33(30,31)22-12-10-21(32-3)11-13-22/h6-13,17,19,26H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyFIUSBFRGQRTYSM-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.12
Rot. Bonds8

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

1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 50826971) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID50826971
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NCC(C)C)C3)cc2)cc1
InChIInChI=1S/C24H31N3O5S/c1-17(2)15-25-23(28)19-5-4-14-27(16-19)24(29)18-6-8-20(9-7-18)26-33(30,31)22-12-10-21(32-3)11-13-22/h6-13,17,19,26H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyFIUSBFRGQRTYSM-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

(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20973116
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50831023
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide (CID 50826971) is 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C(=O)NCC(C)C)C3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is FIUSBFRGQRTYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17(2)15-25-23(28)19-5-4-14-27(16-19)24(29)18-6-8-20(9-7-18)26-33(30,31)22-12-10-21(32-3)11-13-22/h6-13,17,19,26H,4-5,14-16H2,1-3H3,(H,25,28).
What are the key properties of 1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide?
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-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-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 50826971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).