4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

C26H24N4O4S — CID 166186204

IUPAC4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N4O4S/c31-25(28-21-8-6-7-19(17-21)26(32)30-15-4-1-5-16-30)18-11-13-20(14-12-18)27-24-22-9-2-3-10-23(22)35(33,34)29-24/h2-3,6-14,17H,1,4-5,15-16H2,(H,27,29)(H,28,31)
InChIKeyMNXQLUGGIKHFTL-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.13
Rot. Bonds4

About 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 166186204) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID166186204
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C26H24N4O4S/c31-25(28-21-8-6-7-19(17-21)26(32)30-15-4-1-5-16-30)18-11-13-20(14-12-18)27-24-22-9-2-3-10-23(22)35(33,34)29-24/h2-3,6-14,17H,1,4-5,15-16H2,(H,27,29)(H,28,31)
InChIKeyMNXQLUGGIKHFTL-UHFFFAOYSA-N
XLogP4.13
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 29371074
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
[4-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55518345
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
CID 42916226
N-(2-anilino-2-oxoethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55860499
N-[4-(benzimidazol-1-yl)phenyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55471614
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (CID 166186204) is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is MNXQLUGGIKHFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c31-25(28-21-8-6-7-19(17-21)26(32)30-15-4-1-5-16-30)18-11-13-20(14-12-18)27-24-22-9-2-3-10-23(22)35(33,34)29-24/h2-3,6-14,17H,1,4-5,15-16H2,(H,27,29)(H,28,31).
What are the key properties of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 488.57 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 166186204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).