N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H19N3O3S3 — CID 16826160

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H19N3O3S3/c27-22(15-7-3-11-26(13-15)32(28,29)18-10-4-12-30-18)25-23-24-20-16-8-1-5-14-6-2-9-17(19(14)16)21(20)31-23/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,24,25,27)
InChIKeyHKQBKHFPPGSOHX-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.04
Rot. Bonds4

About N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826160) has the molecular formula C23H19N3O3S3 and a molecular weight of 481.62 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826160
Molecular FormulaC23H19N3O3S3
Molecular Weight481.62 g/mol
Exact Mass481.06
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C23H19N3O3S3/c27-22(15-7-3-11-26(13-15)32(28,29)18-10-4-12-30-18)25-23-24-20-16-8-1-5-14-6-2-9-17(19(14)16)21(20)31-23/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,24,25,27)
InChIKeyHKQBKHFPPGSOHX-UHFFFAOYSA-N
XLogP5.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 16828983
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826116
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826190
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
(3R)-N-quinolin-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9325562
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399

Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826160) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is HKQBKHFPPGSOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S3/c27-22(15-7-3-11-26(13-15)32(28,29)18-10-4-12-30-18)25-23-24-20-16-8-1-5-14-6-2-9-17(19(14)16)21(20)31-23/h1-2,4-6,8-10,12,15H,3,7,11,13H2,(H,24,25,27).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).