(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide

C23H29N3O5S — CID 92729225

IUPAC(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C23H29N3O5S/c1-3-14-24-22(27)18-5-4-15-26(16-18)23(28)17-6-8-19(9-7-17)25-32(29,30)21-12-10-20(31-2)11-13-21/h6-13,18,25H,3-5,14-16H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyRNYYSVPUCJLKID-GOSISDBHSA-N
MW459.57 g/mol
LogP2.87
Rot. Bonds8

About (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide

(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 92729225) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
PubChem CID92729225
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C23H29N3O5S/c1-3-14-24-22(27)18-5-4-15-26(16-18)23(28)17-6-8-19(9-7-17)25-32(29,30)21-12-10-20(31-2)11-13-21/h6-13,18,25H,3-5,14-16H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyRNYYSVPUCJLKID-GOSISDBHSA-N
XLogP2.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50826971
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973149
(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
N-(4-methoxyphenyl)-5-[3-(propylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788287
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50831023
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide (CID 92729225) is (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1.
What is the InChIKey of (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is RNYYSVPUCJLKID-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-3-14-24-22(27)18-5-4-15-26(16-18)23(28)17-6-8-19(9-7-17)25-32(29,30)21-12-10-20(31-2)11-13-21/h6-13,18,25H,3-5,14-16H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide?
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 92729225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).