[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

C26H26N2O4S — CID 33188030

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)cc1
InChIInChI=1S/C26H26N2O4S/c1-18-5-7-19(8-6-18)24(29)27(2)21-9-11-22(12-10-21)32-26(31)20-13-15-28(16-14-20)25(30)23-4-3-17-33-23/h3-12,17,20H,13-16H2,1-2H3
InChIKeyQNZKDLBGYRHRFJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.79
Rot. Bonds5

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 33188030) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID33188030
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)cc1
InChIInChI=1S/C26H26N2O4S/c1-18-5-7-19(8-6-18)24(29)27(2)21-9-11-22(12-10-21)32-26(31)20-13-15-28(16-14-20)25(30)23-4-3-17-33-23/h3-12,17,20H,13-16H2,1-2H3
InChIKeyQNZKDLBGYRHRFJ-UHFFFAOYSA-N
XLogP4.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27844069
[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 39964664
N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18119295
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 33188002
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 32991028
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 33188030) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)c4cccs4)CC3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is QNZKDLBGYRHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-18-5-7-19(8-6-18)24(29)27(2)21-9-11-22(12-10-21)32-26(31)20-13-15-28(16-14-20)25(30)23-4-3-17-33-23/h3-12,17,20H,13-16H2,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 462.57 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 33188030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).