N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H21N3O4S3 — CID 16826116

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O4S3/c1-14(25)19-18(15-7-3-2-4-8-15)22-21(30-19)23-20(26)16-9-5-11-24(13-16)31(27,28)17-10-6-12-29-17/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3,(H,22,23,26)
InChIKeyAKRZVFFFIJWLLL-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.11
Rot. Bonds6

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826116) has the molecular formula C21H21N3O4S3 and a molecular weight of 475.62 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826116
Molecular FormulaC21H21N3O4S3
Molecular Weight475.62 g/mol
Exact Mass475.07
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O4S3/c1-14(25)19-18(15-7-3-2-4-8-15)22-21(30-19)23-20(26)16-9-5-11-24(13-16)31(27,28)17-10-6-12-29-17/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3,(H,22,23,26)
InChIKeyAKRZVFFFIJWLLL-UHFFFAOYSA-N
XLogP4.11
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826160
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(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-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
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
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826116) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CC(=O)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is AKRZVFFFIJWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S3/c1-14(25)19-18(15-7-3-2-4-8-15)22-21(30-19)23-20(26)16-9-5-11-24(13-16)31(27,28)17-10-6-12-29-17/h2-4,6-8,10,12,16H,5,9,11,13H2,1H3,(H,22,23,26).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).