5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide

C27H36N6O4S — CID 142457488

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1
InChIInChI=1S/C27H36N6O4S/c1-19-6-7-20(2)24(18-19)37-17-5-14-27(3,4)26(34)28-22-12-15-33(16-13-22)38(35,36)23-10-8-21(9-11-23)25-29-31-32-30-25/h6-11,18,22H,5,12-17H2,1-4H3,(H,28,34)(H,29,30,31,32)
InChIKeyOIERNFYGDHRQKB-UHFFFAOYSA-N
MW540.69 g/mol
LogP3.64
Rot. Bonds10

About 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide (PubChem CID 142457488) has the molecular formula C27H36N6O4S and a molecular weight of 540.69 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide
PubChem CID142457488
Molecular FormulaC27H36N6O4S
Molecular Weight540.69 g/mol
Exact Mass540.25
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1
InChIInChI=1S/C27H36N6O4S/c1-19-6-7-20(2)24(18-19)37-17-5-14-27(3,4)26(34)28-22-12-15-33(16-13-22)38(35,36)23-10-8-21(9-11-23)25-29-31-32-30-25/h6-11,18,22H,5,12-17H2,1-4H3,(H,28,34)(H,29,30,31,32)
InChIKeyOIERNFYGDHRQKB-UHFFFAOYSA-N
XLogP3.64
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.69
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide with MolForge

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Related Compounds

4-[4-[[5-(2,4-difluorophenoxy)-2,2-dimethylpentanoyl]amino]piperidin-1-yl]sulfonylbenzoic acid
CID 142457500
N-(1-benzylpiperidin-4-yl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 151616456
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 142458019
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]pentanamide
CID 54783987
[4-[4-[4-(2,5-dimethylphenoxy)butanoylamino]piperidin-1-yl]sulfonylphenyl]methanesulfinic acid
CID 174927251
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)pentanamide;4-fluorobenzaldehyde
CID 142457626
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 175467291
N-[1-[3,4-bis(ethenyl)benzoyl]piperidin-4-yl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 142457535
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-(4-methoxyphenoxy)-2,2-dimethylpentanamide
CID 142457747
2-amino-2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pentanamide
CID 119699520
5-(2,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpentan-1-one
CID 175467251
4-[4-[(2,2-dimethyl-5-quinolin-6-yloxypentanoyl)amino]piperidin-1-yl]sulfonylbenzoic acid
CID 142457760

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide (CID 142457488) is 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)NC2CCN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide?
The InChIKey is OIERNFYGDHRQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4S/c1-19-6-7-20(2)24(18-19)37-17-5-14-27(3,4)26(34)28-22-12-15-33(16-13-22)38(35,36)23-10-8-21(9-11-23)25-29-31-32-30-25/h6-11,18,22H,5,12-17H2,1-4H3,(H,28,34)(H,29,30,31,32).
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide?
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide has a molecular weight of 540.69 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidin-4-yl]pentanamide is sourced from PubChem (CID 142457488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).