N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C21H22N4O4S3 — CID 2550042

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O4S3/c1-14(26)22-17-6-4-15(5-7-17)18-13-31-21(23-18)24-20(27)16-8-10-25(11-9-16)32(28,29)19-3-2-12-30-19/h2-7,12-13,16H,8-11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyIKPKJVPZHOQALC-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.87
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2550042) has the molecular formula C21H22N4O4S3 and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2550042
Molecular FormulaC21H22N4O4S3
Molecular Weight490.63 g/mol
Exact Mass490.08
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O4S3/c1-14(26)22-17-6-4-15(5-7-17)18-13-31-21(23-18)24-20(27)16-8-10-25(11-9-16)32(28,29)19-3-2-12-30-19/h2-7,12-13,16H,8-11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyIKPKJVPZHOQALC-UHFFFAOYSA-N
XLogP3.87
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

FAAH inhibitor 1
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2550042) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is IKPKJVPZHOQALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S3/c1-14(26)22-17-6-4-15(5-7-17)18-13-31-21(23-18)24-20(27)16-8-10-25(11-9-16)32(28,29)19-3-2-12-30-19/h2-7,12-13,16H,8-11H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).