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

C18H17Cl2N5O4S2 — CID 11663380

IUPAC4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N5O4S2/c1-11-9-22-17(29-11)12-8-13(19)16(21-10-12)24-4-6-25(7-5-24)18(26)23-31(27,28)15-3-2-14(20)30-15/h2-3,8-10H,4-7H2,1H3,(H,23,26)
InChIKeyJZUVWUCVDGUZFC-UHFFFAOYSA-N
MW502.41 g/mol
LogP3.63
Rot. Bonds4

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

4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 11663380) has the molecular formula C18H17Cl2N5O4S2 and a molecular weight of 502.41 g/mol. Its IUPAC name is 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
PubChem CID11663380
Molecular FormulaC18H17Cl2N5O4S2
Molecular Weight502.41 g/mol
Exact Mass501.01
IUPAC Name4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESCc1cnc(-c2cnc(N3CCN(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)c(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N5O4S2/c1-11-9-22-17(29-11)12-8-13(19)16(21-10-12)24-4-6-25(7-5-24)18(26)23-31(27,28)15-3-2-14(20)30-15/h2-3,8-10H,4-7H2,1H3,(H,23,26)
InChIKeyJZUVWUCVDGUZFC-UHFFFAOYSA-N
XLogP3.63
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (CID 11663380) is 4-[3-chloro-5-(5-methyl-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-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is Cc1cnc(-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-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is JZUVWUCVDGUZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O4S2/c1-11-9-22-17(29-11)12-8-13(19)16(21-10-12)24-4-6-25(7-5-24)18(26)23-31(27,28)15-3-2-14(20)30-15/h2-3,8-10H,4-7H2,1H3,(H,23,26).
What are the key properties of 4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 502.41 g/mol, XLogP of 3.63, 4 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-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 11663380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).