N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C22H25N3O5S2 — CID 30821872

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C22H25N3O5S2/c1-3-29-18-10-9-16(32(27,28)25-11-5-4-6-12-25)14-17(18)23-21(26)20-15(2)31-22(24-20)19-8-7-13-30-19/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,26)
InChIKeyZZBLGQBZKBFXSS-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.54
Rot. Bonds7

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 30821872) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID30821872
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc(-c2ccco2)sc1C
InChIInChI=1S/C22H25N3O5S2/c1-3-29-18-10-9-16(32(27,28)25-11-5-4-6-12-25)14-17(18)23-21(26)20-15(2)31-22(24-20)19-8-7-13-30-19/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,26)
InChIKeyZZBLGQBZKBFXSS-UHFFFAOYSA-N
XLogP4.54
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
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N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 4797053
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
3-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 55816994
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
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3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 30821872) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc(-c2ccco2)sc1C.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZZBLGQBZKBFXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-3-29-18-10-9-16(32(27,28)25-11-5-4-6-12-25)14-17(18)23-21(26)20-15(2)31-22(24-20)19-8-7-13-30-19/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30821872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).