(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

C20H21ClN4O4S2 — CID 92896162

IUPAC(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)c2)no1
InChIInChI=1S/C20H21ClN4O4S2/c1-2-17-23-19(24-29-17)14-10-18(30-12-14)31(27,28)25-9-5-6-13(11-25)20(26)22-16-8-4-3-7-15(16)21/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeySAJRZGIPIGUFAW-CYBMUJFWSA-N
MW481.00 g/mol
LogP4.05
Rot. Bonds6

About (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 92896162) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID92896162
Molecular FormulaC20H21ClN4O4S2
Molecular Weight481.00 g/mol
Exact Mass480.07
IUPAC Name(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)c2)no1
InChIInChI=1S/C20H21ClN4O4S2/c1-2-17-23-19(24-29-17)14-10-18(30-12-14)31(27,28)25-9-5-6-13(11-25)20(26)22-16-8-4-3-7-15(16)21/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,22,26)/t13-/m1/s1
InChIKeySAJRZGIPIGUFAW-CYBMUJFWSA-N
XLogP4.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-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

(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92896170
(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50829087
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 50829076
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92896136
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50829130
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896176
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758
(3R)-N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895910

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 92896162) is (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)c2)no1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is SAJRZGIPIGUFAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-2-17-23-19(24-29-17)14-10-18(30-12-14)31(27,28)25-9-5-6-13(11-25)20(26)22-16-8-4-3-7-15(16)21/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,22,26)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92896162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).