(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide

C22H27N5O4S — CID 92890327

IUPAC(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-3-12-26-20-11-10-18(15-19(20)24-25-26)32(29,30)27-13-5-4-9-21(27)22(28)23-16-7-6-8-17(14-16)31-2/h6-8,10-11,14-15,21H,3-5,9,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1
InChIKeyHYUADLFOYLALAB-OAQYLSRUSA-N
MW457.56 g/mol
LogP3.03
Rot. Bonds7

About (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide

(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 92890327) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
PubChem CID92890327
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)Nc3cccc(OC)c3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-3-12-26-20-11-10-18(15-19(20)24-25-26)32(29,30)27-13-5-4-9-21(27)22(28)23-16-7-6-8-17(14-16)31-2/h6-8,10-11,14-15,21H,3-5,9,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1
InChIKeyHYUADLFOYLALAB-OAQYLSRUSA-N
XLogP3.03
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330152
(2S)-N-(4-chlorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92890332
N-[(2-methoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787355
N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 46330249
N-(5-chloro-2-methylphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787431
N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787612
(2S)-N-(3-chloro-2-methylphenyl)-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxamide
CID 92890308
N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330151
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 46330248
N-benzyl-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxamide
CID 50787447

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide (CID 92890327) is (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide is CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)Nc3cccc(OC)c3)ccc21.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is HYUADLFOYLALAB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-3-12-26-20-11-10-18(15-19(20)24-25-26)32(29,30)27-13-5-4-9-21(27)22(28)23-16-7-6-8-17(14-16)31-2/h6-8,10-11,14-15,21H,3-5,9,12-13H2,1-2H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 92890327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).