N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C24H28N6O4S2 — CID 3863181

IUPACN-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)c3csc(-c4cccnc4)n3)CCNCC2)cc1
InChIInChI=1S/C24H28N6O4S2/c1-17-4-6-19(7-5-17)36(33,34)28-14-13-27-23(32)24(8-11-25-12-9-24)30-21(31)20-16-35-22(29-20)18-3-2-10-26-15-18/h2-7,10,15-16,25,28H,8-9,11-14H2,1H3,(H,27,32)(H,30,31)
InChIKeyKWVYLCGCRZZSSU-UHFFFAOYSA-N
MW528.66 g/mol
LogP1.46
Rot. Bonds9

About N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 3863181) has the molecular formula C24H28N6O4S2 and a molecular weight of 528.66 g/mol. Its IUPAC name is N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID3863181
Molecular FormulaC24H28N6O4S2
Molecular Weight528.66 g/mol
Exact Mass528.16
IUPAC NameN-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)c3csc(-c4cccnc4)n3)CCNCC2)cc1
InChIInChI=1S/C24H28N6O4S2/c1-17-4-6-19(7-5-17)36(33,34)28-14-13-27-23(32)24(8-11-25-12-9-24)30-21(31)20-16-35-22(29-20)18-3-2-10-26-15-18/h2-7,10,15-16,25,28H,8-9,11-14H2,1H3,(H,27,32)(H,30,31)
InChIKeyKWVYLCGCRZZSSU-UHFFFAOYSA-N
XLogP1.46
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.66
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266
4-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 74228168
4-[(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 74226703
4-[[3,4-difluoro-5-(trifluoromethyl)benzoyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3772110
4-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3855983
4-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 3278996
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120888366
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 3863181) is N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C2(NC(=O)c3csc(-c4cccnc4)n3)CCNCC2)cc1.
What is the InChIKey of N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KWVYLCGCRZZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S2/c1-17-4-6-19(7-5-17)36(33,34)28-14-13-27-23(32)24(8-11-25-12-9-24)30-21(31)20-16-35-22(29-20)18-3-2-10-26-15-18/h2-7,10,15-16,25,28H,8-9,11-14H2,1H3,(H,27,32)(H,30,31).
What are the key properties of N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 528.66 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3863181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).