3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C18H23N3O3S2 — CID 167983152

IUPAC3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c22-17(9-12-26(23,24)16-7-3-1-4-8-16)20-18-19-15(14-25-18)13-21-10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,19,20,22)
InChIKeyFYGFAPROGZZDOE-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.93
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 167983152) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID167983152
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c22-17(9-12-26(23,24)16-7-3-1-4-8-16)20-18-19-15(14-25-18)13-21-10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,19,20,22)
InChIKeyFYGFAPROGZZDOE-UHFFFAOYSA-N
XLogP2.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 134051901
3-(1H-benzimidazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29329184
3-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30185079
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183569
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
CID 126781218
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30184390
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 47044892

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 167983152) is 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FYGFAPROGZZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-17(9-12-26(23,24)16-7-3-1-4-8-16)20-18-19-15(14-25-18)13-21-10-5-2-6-11-21/h1,3-4,7-8,14H,2,5-6,9-13H2,(H,19,20,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 167983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).