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

C21H23ClN4O4S2 — CID 50828802

IUPACN-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)NCCc4ccc(Cl)cc4)C3)c2)no1
InChIInChI=1S/C21H23ClN4O4S2/c1-14-24-20(25-30-14)17-11-19(31-13-17)32(28,29)26-10-2-3-16(12-26)21(27)23-9-8-15-4-6-18(22)7-5-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H,23,27)
InChIKeyDHEGNSUETIASLE-UHFFFAOYSA-N
MW495.03 g/mol
LogP3.52
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 50828802) has the molecular formula C21H23ClN4O4S2 and a molecular weight of 495.03 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID50828802
Molecular FormulaC21H23ClN4O4S2
Molecular Weight495.03 g/mol
Exact Mass494.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)NCCc4ccc(Cl)cc4)C3)c2)no1
InChIInChI=1S/C21H23ClN4O4S2/c1-14-24-20(25-30-14)17-11-19(31-13-17)32(28,29)26-10-2-3-16(12-26)21(27)23-9-8-15-4-6-18(22)7-5-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H,23,27)
InChIKeyDHEGNSUETIASLE-UHFFFAOYSA-N
XLogP3.52
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.03
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-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

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50828919
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 92882347
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856
(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
(3R)-N-(2-methoxyethyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895946
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92882338
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92882342
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92895841
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731247
N-(3-fluoro-4-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828782

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 50828802) is N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is Cc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)NCCc4ccc(Cl)cc4)C3)c2)no1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is DHEGNSUETIASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S2/c1-14-24-20(25-30-14)17-11-19(31-13-17)32(28,29)26-10-2-3-16(12-26)21(27)23-9-8-15-4-6-18(22)7-5-15/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 495.03 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 50828802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).