4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C16H19N3O3S2 — CID 1107123

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-6-13(15(20)18-16-17-7-10-23-16)11-14(12)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyZLNYEKDLVPWSCL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.88
Rot. Bonds4

About 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1107123) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1107123
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19N3O3S2/c1-12-5-6-13(15(20)18-16-17-7-10-23-16)11-14(12)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20)
InChIKeyZLNYEKDLVPWSCL-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1107123) is 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZLNYEKDLVPWSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-5-6-13(15(20)18-16-17-7-10-23-16)11-14(12)24(21,22)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18,20).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1107123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).