N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide

C21H24N6O4S — CID 1469325

IUPACN-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H24N6O4S/c1-31-19-5-3-2-4-17(19)14-22-21(28)16-10-12-27(13-11-16)32(29,30)18-8-6-15(7-9-18)20-23-25-26-24-20/h2-9,16H,10-14H2,1H3,(H,22,28)(H,23,24,25,26)
InChIKeyBFVFWKMMFLGOCK-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.59
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 1469325) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID1469325
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C21H24N6O4S/c1-31-19-5-3-2-4-17(19)14-22-21(28)16-10-12-27(13-11-16)32(29,30)18-8-6-15(7-9-18)20-23-25-26-24-20/h2-9,16H,10-14H2,1H3,(H,22,28)(H,23,24,25,26)
InChIKeyBFVFWKMMFLGOCK-UHFFFAOYSA-N
XLogP1.59
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469319
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100652424
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 73401618
1-(4-acetylphenyl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 24556536
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458107
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6619281
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
ethyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938268

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 1469325) is N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is BFVFWKMMFLGOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-31-19-5-3-2-4-17(19)14-22-21(28)16-10-12-27(13-11-16)32(29,30)18-8-6-15(7-9-18)20-23-25-26-24-20/h2-9,16H,10-14H2,1H3,(H,22,28)(H,23,24,25,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1469325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).