3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C17H22N4O3S2 — CID 30184646

IUPAC3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1
InChIInChI=1S/C17H22N4O3S2/c1-26(23,24)20-14-7-5-6-13(10-14)16(22)19-17-18-15(12-25-17)11-21-8-3-2-4-9-21/h5-7,10,12,20H,2-4,8-9,11H2,1H3,(H,18,19,22)
InChIKeyVFFWSLXIBFMZDH-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.75
Rot. Bonds6

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

3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30184646) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID30184646
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1
InChIInChI=1S/C17H22N4O3S2/c1-26(23,24)20-14-7-5-6-13(10-14)16(22)19-17-18-15(12-25-17)11-21-8-3-2-4-9-21/h5-7,10,12,20H,2-4,8-9,11H2,1H3,(H,18,19,22)
InChIKeyVFFWSLXIBFMZDH-UHFFFAOYSA-N
XLogP2.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
3-[methyl(propan-2-yl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182568
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 166227366
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
CID 25335294
4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 26129310
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 30182915

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 30184646) is 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VFFWSLXIBFMZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-26(23,24)20-14-7-5-6-13(10-14)16(22)19-17-18-15(12-25-17)11-21-8-3-2-4-9-21/h5-7,10,12,20H,2-4,8-9,11H2,1H3,(H,18,19,22).
What are the key properties of 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30184646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).