N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

C18H24N4O3S2 — CID 108783696

IUPACN-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(CN3CCCCC3C)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-13-5-3-4-10-22(13)12-16-11-19-18(26-16)21-27(24,25)17-8-6-15(7-9-17)20-14(2)23/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyQBNGUQUXBNTUNW-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.28
Rot. Bonds6

About N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 108783696) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID108783696
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(CN3CCCCC3C)s2)cc1
InChIInChI=1S/C18H24N4O3S2/c1-13-5-3-4-10-22(13)12-16-11-19-18(26-16)21-27(24,25)17-8-6-15(7-9-17)20-14(2)23/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyQBNGUQUXBNTUNW-UHFFFAOYSA-N
XLogP3.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108802091
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55972269
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767973
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 108783696) is N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(CN3CCCCC3C)s2)cc1.
What is the InChIKey of N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QBNGUQUXBNTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-13-5-3-4-10-22(13)12-16-11-19-18(26-16)21-27(24,25)17-8-6-15(7-9-17)20-14(2)23/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108783696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).