N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide

C22H27N5O4S — CID 46330152

IUPACN-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(OC)c4)CC3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-3-11-27-21-8-7-19(15-20(21)24-25-27)32(29,30)26-12-9-16(10-13-26)22(28)23-17-5-4-6-18(14-17)31-2/h4-8,14-16H,3,9-13H2,1-2H3,(H,23,28)
InChIKeyIYDZSCKJUJTVRG-UHFFFAOYSA-N
MW457.56 g/mol
LogP2.89
Rot. Bonds7

About N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide

N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 46330152) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID46330152
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC NameN-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(OC)c4)CC3)ccc21
InChIInChI=1S/C22H27N5O4S/c1-3-11-27-21-8-7-19(15-20(21)24-25-27)32(29,30)26-12-9-16(10-13-26)22(28)23-17-5-4-6-18(14-17)31-2/h4-8,14-16H,3,9-13H2,1-2H3,(H,23,28)
InChIKeyIYDZSCKJUJTVRG-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide
CID 46330151
(2R)-N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92890327
N-(3-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106319
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46330137
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
1-[(3-methoxyphenyl)methyl]-3-[2-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)ethyl]urea
CID 53110881
1-[[(2R)-2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 95068651
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 20934046
(2S)-N-(4-chlorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92890332
ethyl 3-[3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanoylamino]benzoate
CID 53064394

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide (CID 46330152) is N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide is CCCn1nnc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(OC)c4)CC3)ccc21.
What is the InChIKey of N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IYDZSCKJUJTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-3-11-27-21-8-7-19(15-20(21)24-25-27)32(29,30)26-12-9-16(10-13-26)22(28)23-17-5-4-6-18(14-17)31-2/h4-8,14-16H,3,9-13H2,1-2H3,(H,23,28).
What are the key properties of N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide?
N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46330152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).