4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

C22H26N4O4S2 — CID 41043715

IUPAC4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-3-16-7-4-5-14-26(16)32(28,29)17-12-10-15(11-13-17)21(27)24-25-22-23-20-18(30-2)8-6-9-19(20)31-22/h6,8-13,16H,3-5,7,14H2,1-2H3,(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyCAMAPWPETHCHDZ-MRXNPFEDSA-N
MW474.61 g/mol
LogP4.01
Rot. Bonds7

About 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide

4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (PubChem CID 41043715) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
PubChem CID41043715
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-3-16-7-4-5-14-26(16)32(28,29)17-12-10-15(11-13-17)21(27)24-25-22-23-20-18(30-2)8-6-9-19(20)31-22/h6,8-13,16H,3-5,7,14H2,1-2H3,(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyCAMAPWPETHCHDZ-MRXNPFEDSA-N
XLogP4.01
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide 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

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043781
N'-(4-chloro-1,3-benzothiazol-2-yl)-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043733
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16825437
N'-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043711
N'-(4-ethoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 16825080
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4616708
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 16825074
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzohydrazide
CID 16825115
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43959777

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The IUPAC name of 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide (CID 41043715) is 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide.
What is the SMILES notation for 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The canonical SMILES for 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1.
What is the InChIKey of 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
The InChIKey is CAMAPWPETHCHDZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-3-16-7-4-5-14-26(16)32(28,29)17-12-10-15(11-13-17)21(27)24-25-22-23-20-18(30-2)8-6-9-19(20)31-22/h6,8-13,16H,3-5,7,14H2,1-2H3,(H,23,25)(H,24,27)/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide?
4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide has a molecular weight of 474.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide is sourced from PubChem (CID 41043715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).