4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

C23H32N4O6S — CID 74226703

IUPAC4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)C3=CC(=O)CC(C)(C)O3)CCNCC2)cc1
InChIInChI=1S/C23H32N4O6S/c1-16-4-6-18(7-5-16)34(31,32)26-13-12-25-21(30)23(8-10-24-11-9-23)27-20(29)19-14-17(28)15-22(2,3)33-19/h4-7,14,24,26H,8-13,15H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyUJFWBPJTMQYACT-UHFFFAOYSA-N
MW492.60 g/mol
LogP0.28
Rot. Bonds8

About 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide (PubChem CID 74226703) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
PubChem CID74226703
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Name4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)C3=CC(=O)CC(C)(C)O3)CCNCC2)cc1
InChIInChI=1S/C23H32N4O6S/c1-16-4-6-18(7-5-16)34(31,32)26-13-12-25-21(30)23(8-10-24-11-9-23)27-20(29)19-14-17(28)15-22(2,3)33-19/h4-7,14,24,26H,8-13,15H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyUJFWBPJTMQYACT-UHFFFAOYSA-N
XLogP0.28
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[3,4-difluoro-5-(trifluoromethyl)benzoyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3772110
4-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 74228168
4-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3278996
N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 3863181
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3855983
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide (CID 74226703) is 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)C3=CC(=O)CC(C)(C)O3)CCNCC2)cc1.
What is the InChIKey of 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
The InChIKey is UJFWBPJTMQYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-16-4-6-18(7-5-16)34(31,32)26-13-12-25-21(30)23(8-10-24-11-9-23)27-20(29)19-14-17(28)15-22(2,3)33-19/h4-7,14,24,26H,8-13,15H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide?
4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 74226703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).