4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C21H22N4O3S2 — CID 41073077

IUPAC4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-15-4-2-3-13-25(15)30(27,28)18-7-5-17(6-8-18)20(26)24-21-23-19(14-29-21)16-9-11-22-12-10-16/h5-12,14-15H,2-4,13H2,1H3,(H,23,24,26)/t15-/m1/s1
InChIKeyILEWMYMKHYZZED-OAHLLOKOSA-N
MW442.57 g/mol
LogP4.02
Rot. Bonds5

About 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 41073077) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID41073077
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H22N4O3S2/c1-15-4-2-3-13-25(15)30(27,28)18-7-5-17(6-8-18)20(26)24-21-23-19(14-29-21)16-9-11-22-12-10-16/h5-12,14-15H,2-4,13H2,1H3,(H,23,24,26)/t15-/m1/s1
InChIKeyILEWMYMKHYZZED-OAHLLOKOSA-N
XLogP4.02
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-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

Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4080052
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4205185
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4067307
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41066616
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4118645

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 41073077) is 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ILEWMYMKHYZZED-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-15-4-2-3-13-25(15)30(27,28)18-7-5-17(6-8-18)20(26)24-21-23-19(14-29-21)16-9-11-22-12-10-16/h5-12,14-15H,2-4,13H2,1H3,(H,23,24,26)/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 442.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 41073077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).