1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H21N3O4S2 — CID 9117649

IUPAC1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C)s3)CC2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-11-19-18(26-12)20-17(23)15-7-9-21(10-8-15)27(24,25)16-5-3-14(4-6-16)13(2)22/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyXFKDKYKCAVZXMU-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 9117649) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID9117649
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C)s3)CC2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-11-19-18(26-12)20-17(23)15-7-9-21(10-8-15)27(24,25)16-5-3-14(4-6-16)13(2)22/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,23)
InChIKeyXFKDKYKCAVZXMU-UHFFFAOYSA-N
XLogP2.69
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 9117649) is 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C)s3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is XFKDKYKCAVZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12-11-19-18(26-12)20-17(23)15-7-9-21(10-8-15)27(24,25)16-5-3-14(4-6-16)13(2)22/h3-6,11,15H,7-10H2,1-2H3,(H,19,20,23).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 9117649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).