N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide

C20H24ClN3O4S2 — CID 18574501

IUPACN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C20H24ClN3O4S2/c21-15-6-8-18(9-7-15)30(27,28)24-12-2-1-4-16(24)10-11-22-19(25)20(26)23-14-17-5-3-13-29-17/h3,5-9,13,16H,1-2,4,10-12,14H2,(H,22,25)(H,23,26)
InChIKeyOXXAFGPBFCVPTN-UHFFFAOYSA-N
MW470.02 g/mol
LogP2.77
Rot. Bonds7

About N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 18574501) has the molecular formula C20H24ClN3O4S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID18574501
Molecular FormulaC20H24ClN3O4S2
Molecular Weight470.02 g/mol
Exact Mass469.09
IUPAC NameN-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C20H24ClN3O4S2/c21-15-6-8-18(9-7-15)30(27,28)24-12-2-1-4-16(24)10-11-22-19(25)20(26)23-14-17-5-3-13-29-17/h3,5-9,13,16H,1-2,4,10-12,14H2,(H,22,25)(H,23,26)
InChIKeyOXXAFGPBFCVPTN-UHFFFAOYSA-N
XLogP2.77
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide 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 N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 18574501) is N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1cccs1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is OXXAFGPBFCVPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S2/c21-15-6-8-18(9-7-15)30(27,28)24-12-2-1-4-16(24)10-11-22-19(25)20(26)23-14-17-5-3-13-29-17/h3,5-9,13,16H,1-2,4,10-12,14H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 470.02 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 18574501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).