N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C21H24N6O5S — CID 3215993

IUPACN-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc(OC)c1
InChIInChI=1S/C21H24N6O5S/c1-31-18-10-16(11-19(12-18)32-2)23-21(28)15-4-3-9-26(13-15)33(29,30)20-7-5-17(6-8-20)27-14-22-24-25-27/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H,23,28)
InChIKeyGLJMGKYZUNLULD-UHFFFAOYSA-N
MW472.53 g/mol
LogP1.72
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 3215993) has the molecular formula C21H24N6O5S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID3215993
Molecular FormulaC21H24N6O5S
Molecular Weight472.53 g/mol
Exact Mass472.15
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc(OC)c1
InChIInChI=1S/C21H24N6O5S/c1-31-18-10-16(11-19(12-18)32-2)23-21(28)15-4-3-9-26(13-15)33(29,30)20-7-5-17(6-8-20)27-14-22-24-25-27/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H,23,28)
InChIKeyGLJMGKYZUNLULD-UHFFFAOYSA-N
XLogP1.72
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3R)-N-(4-ethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458111
N-(2,5-dimethylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214827
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
N-(2-methoxyethyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214836
(3S)-N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456951
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458107
N-(3-methylbutyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214813
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872831
N-(2-phenylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3215996
(3R)-N-(2,3-dihydro-1H-inden-4-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1458117
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 25317918
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 3215993) is N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is GLJMGKYZUNLULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S/c1-31-18-10-16(11-19(12-18)32-2)23-21(28)15-4-3-9-26(13-15)33(29,30)20-7-5-17(6-8-20)27-14-22-24-25-27/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H,23,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3215993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).