2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide

C23H25N3O4S2 — CID 46647466

IUPAC2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-17-5-9-19(10-6-17)30-15-22-25-21(16-31-22)23(27)24-18-7-11-20(12-8-18)32(28,29)26-13-3-2-4-14-26/h5-12,16H,2-4,13-15H2,1H3,(H,24,27)
InChIKeyHRUBBGGRHZUBOT-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.46
Rot. Bonds7

About 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide

2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46647466) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46647466
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(OCc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-17-5-9-19(10-6-17)30-15-22-25-21(16-31-22)23(27)24-18-7-11-20(12-8-18)32(28,29)26-13-3-2-4-14-26/h5-12,16H,2-4,13-15H2,1H3,(H,24,27)
InChIKeyHRUBBGGRHZUBOT-UHFFFAOYSA-N
XLogP4.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 24671851
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811032
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
N-[(1R,2S)-2-[(2-chlorobenzoyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93014458
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide (CID 46647466) is 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HRUBBGGRHZUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-17-5-9-19(10-6-17)30-15-22-25-21(16-31-22)23(27)24-18-7-11-20(12-8-18)32(28,29)26-13-3-2-4-14-26/h5-12,16H,2-4,13-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46647466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).