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

C24H24N6O3S — CID 167809189

IUPACN-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nn[nH]n2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N6O3S/c1-16-6-7-20(23-26-28-29-27-23)15-22(16)25-24(31)18-10-12-30(13-11-18)34(32,33)21-9-8-17-4-2-3-5-19(17)14-21/h2-9,14-15,18H,10-13H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyWERMOXPDBIAYQS-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.37
Rot. Bonds5

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

N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 167809189) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID167809189
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2nn[nH]n2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N6O3S/c1-16-6-7-20(23-26-28-29-27-23)15-22(16)25-24(31)18-10-12-30(13-11-18)34(32,33)21-9-8-17-4-2-3-5-19(17)14-21/h2-9,14-15,18H,10-13H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKeyWERMOXPDBIAYQS-UHFFFAOYSA-N
XLogP3.37
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-[2-hydroxy-4-(2H-tetrazol-5-yl)phenyl]-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 167928345
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 167809189) is N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WERMOXPDBIAYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-16-6-7-20(23-26-28-29-27-23)15-22(16)25-24(31)18-10-12-30(13-11-18)34(32,33)21-9-8-17-4-2-3-5-19(17)14-21/h2-9,14-15,18H,10-13H2,1H3,(H,25,31)(H,26,27,28,29).
What are the key properties of N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 167809189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).