1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide

C19H18ClN3O4S2 — CID 5267445

IUPAC1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O4S2/c20-13-3-5-14(6-4-13)29(25,26)18-19(23-9-7-12(8-10-23)16(21)24)27-17(22-18)15-2-1-11-28-15/h1-6,11-12H,7-10H2,(H2,21,24)
InChIKeyKYUMWFLAKFJSJR-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 5267445) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID5267445
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC Name1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClN3O4S2/c20-13-3-5-14(6-4-13)29(25,26)18-19(23-9-7-12(8-10-23)16(21)24)27-17(22-18)15-2-1-11-28-15/h1-6,11-12H,7-10H2,(H2,21,24)
InChIKeyKYUMWFLAKFJSJR-UHFFFAOYSA-N
XLogP3.59
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 5267445) is 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is KYUMWFLAKFJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c20-13-3-5-14(6-4-13)29(25,26)18-19(23-9-7-12(8-10-23)16(21)24)27-17(22-18)15-2-1-11-28-15/h1-6,11-12H,7-10H2,(H2,21,24).
What are the key properties of 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonyl-2-thiophen-2-yl-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 5267445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).