N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide

C25H21N3O3S2 — CID 16828983

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H21N3O3S2/c29-24(17-9-6-14-28(15-17)33(30,31)18-10-2-1-3-11-18)27-25-26-22-19-12-4-7-16-8-5-13-20(21(16)19)23(22)32-25/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,26,27,29)
InChIKeyWXZQJMFVEBWZAZ-UHFFFAOYSA-N
MW475.60 g/mol
LogP4.98
Rot. Bonds4

About N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide (PubChem CID 16828983) has the molecular formula C25H21N3O3S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
PubChem CID16828983
Molecular FormulaC25H21N3O3S2
Molecular Weight475.60 g/mol
Exact Mass475.10
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H21N3O3S2/c29-24(17-9-6-14-28(15-17)33(30,31)18-10-2-1-3-11-18)27-25-26-22-19-12-4-7-16-8-5-13-20(21(16)19)23(22)32-25/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,26,27,29)
InChIKeyWXZQJMFVEBWZAZ-UHFFFAOYSA-N
XLogP4.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826160
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
1-(4-fluorophenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16828973
1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16829204
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 133167934
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
methyl 2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 16861864

Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide (CID 16828983) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide is O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide?
The InChIKey is WXZQJMFVEBWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S2/c29-24(17-9-6-14-28(15-17)33(30,31)18-10-2-1-3-11-18)27-25-26-22-19-12-4-7-16-8-5-13-20(21(16)19)23(22)32-25/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,26,27,29).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 16828983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).