4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide

C19H19Cl2N5O4S2 — CID 11634937

IUPAC4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(Cl)c2)o1
InChIInChI=1S/C19H19Cl2N5O4S2/c1-2-13-11-23-18(30-13)12-9-14(20)17(22-10-12)25-5-7-26(8-6-25)19(27)24-32(28,29)16-4-3-15(21)31-16/h3-4,9-11H,2,5-8H2,1H3,(H,24,27)
InChIKeyUQGABJOTOYVCCV-UHFFFAOYSA-N
MW516.43 g/mol
LogP3.89
Rot. Bonds5

About 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide

4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 11634937) has the molecular formula C19H19Cl2N5O4S2 and a molecular weight of 516.43 g/mol. Its IUPAC name is 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
PubChem CID11634937
Molecular FormulaC19H19Cl2N5O4S2
Molecular Weight516.43 g/mol
Exact Mass515.03
IUPAC Name4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(Cl)c2)o1
InChIInChI=1S/C19H19Cl2N5O4S2/c1-2-13-11-23-18(30-13)12-9-14(20)17(22-10-12)25-5-7-26(8-6-25)19(27)24-32(28,29)16-4-3-15(21)31-16/h3-4,9-11H,2,5-8H2,1H3,(H,24,27)
InChIKeyUQGABJOTOYVCCV-UHFFFAOYSA-N
XLogP3.89
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (CID 11634937) is 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is CCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(Cl)c2)o1.
What is the InChIKey of 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is UQGABJOTOYVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O4S2/c1-2-13-11-23-18(30-13)12-9-14(20)17(22-10-12)25-5-7-26(8-6-25)19(27)24-32(28,29)16-4-3-15(21)31-16/h3-4,9-11H,2,5-8H2,1H3,(H,24,27).
What are the key properties of 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 516.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 11634937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).