2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

C21H30N4O3S2 — CID 90621661

IUPAC2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCN(c3nccs3)C2)c1C
InChIInChI=1S/C21H30N4O3S2/c1-14-10-15(2)17(4)20(16(14)3)30(27,28)24-12-19(26)23-11-18-6-5-8-25(13-18)21-22-7-9-29-21/h7,9-10,18,24H,5-6,8,11-13H2,1-4H3,(H,23,26)
InChIKeyMYVWBXVYHBZJJA-UHFFFAOYSA-N
MW450.63 g/mol
LogP2.69
Rot. Bonds7

About 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 90621661) has the molecular formula C21H30N4O3S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID90621661
Molecular FormulaC21H30N4O3S2
Molecular Weight450.63 g/mol
Exact Mass450.18
IUPAC Name2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCN(c3nccs3)C2)c1C
InChIInChI=1S/C21H30N4O3S2/c1-14-10-15(2)17(4)20(16(14)3)30(27,28)24-12-19(26)23-11-18-6-5-8-25(13-18)21-22-7-9-29-21/h7,9-10,18,24H,5-6,8,11-13H2,1-4H3,(H,23,26)
InChIKeyMYVWBXVYHBZJJA-UHFFFAOYSA-N
XLogP2.69
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619405
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621837
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (CID 90621661) is 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCC2CCCN(c3nccs3)C2)c1C.
What is the InChIKey of 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is MYVWBXVYHBZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S2/c1-14-10-15(2)17(4)20(16(14)3)30(27,28)24-12-19(26)23-11-18-6-5-8-25(13-18)21-22-7-9-29-21/h7,9-10,18,24H,5-6,8,11-13H2,1-4H3,(H,23,26).
What are the key properties of 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 450.63 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 90621661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).