1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

C20H21Cl2N5O4S2 — CID 11504685

IUPAC1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2N)o1
InChIInChI=1S/C20H21Cl2N5O4S2/c1-2-12-10-24-20(31-12)13-9-14(21)18(25-17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)16-4-3-15(22)32-16/h3-4,9-11H,2,5-8H2,1H3,(H2,23,25)(H,26,28)
InChIKeyZJLCTLTYSGSDDL-UHFFFAOYSA-N
MW530.46 g/mol
LogP3.97
Rot. Bonds6

About 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide

1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 11504685) has the molecular formula C20H21Cl2N5O4S2 and a molecular weight of 530.46 g/mol. Its IUPAC name is 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID11504685
Molecular FormulaC20H21Cl2N5O4S2
Molecular Weight530.46 g/mol
Exact Mass529.04
IUPAC Name1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2N)o1
InChIInChI=1S/C20H21Cl2N5O4S2/c1-2-12-10-24-20(31-12)13-9-14(21)18(25-17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)16-4-3-15(22)32-16/h3-4,9-11H,2,5-8H2,1H3,(H2,23,25)(H,26,28)
InChIKeyZJLCTLTYSGSDDL-UHFFFAOYSA-N
XLogP3.97
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)pyridin-2-yl]-N-(phenylsulfonyl)piperazine-1-carboxamide
CID 11547134
Ethyl 5-chloro-6-[4-({[(5-chloro-2-thienyl)sulfonyl]amino}carbonyl)piperidin-1-yl]nicotinate
CID 11620159
N-[(5-chloro-2-thienyl)sulfonyl]-1-[3-cyano-5-(5-ethyl-1,3-oxazol-2-yl)-6-methylpyridin-2-yl]azetidine-3-carboxamide
CID 68916926
N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 46833005
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(hydroxymethyl)pyridin-2-yl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68914679
4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide;2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-5-ethyl-1,3-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 173122186
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(hydroxymethyl)-2-pyridinyl]-N-[3-(5-chlorothiophen-2-yl)prop-2-enylsulfonyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174535821
Ethyl 5-chloro-6-[3-({[(5-chloro-2-thienyl)sulfonyl]amino}carbonyl)pyrrolidin-1-yl]nicotinate
CID 11569161
4-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)pyridin-2-yl]-N-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carboxamide
CID 11634937
1-[3-Chloro-5-(5-ethyl-1,3-oxazol-2-yl)-4-(methylamino)pyridin-2-yl]-N-[(5-chloro-2-thienyl)sulfonyl]piperidine-4-carboxamide
CID 11649622
1-[3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-(methylamino)pyridin-2-yl]-N-[(5-chloro-2-thienyl)sulfonyl]piperidine-4-carboxamide
CID 11656798
4-[3-chloro-5-(5-methyl-1,3-oxazol-2-yl)pyridin-2-yl]-N-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carboxamide
CID 11663380

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 11504685) is 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)c4ccc(Cl)s4)CC3)nc2N)o1.
What is the InChIKey of 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ZJLCTLTYSGSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O4S2/c1-2-12-10-24-20(31-12)13-9-14(21)18(25-17(13)23)27-7-5-11(6-8-27)19(28)26-33(29,30)16-4-3-15(22)32-16/h3-4,9-11H,2,5-8H2,1H3,(H2,23,25)(H,26,28).
What are the key properties of 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide?
1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 530.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-2-pyridinyl]-N-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11504685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).