N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide

C20H24ClN3O2S — CID 16932218

IUPACN-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C20H24ClN3O2S/c21-17-7-3-2-6-15(17)12-22-19(25)20(26)23-13-18(16-8-11-27-14-16)24-9-4-1-5-10-24/h2-3,6-8,11,14,18H,1,4-5,9-10,12-13H2,(H,22,25)(H,23,26)
InChIKeyLNSIDTXNORGICY-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.36
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide

N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932218) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932218
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C20H24ClN3O2S/c21-17-7-3-2-6-15(17)12-22-19(25)20(26)23-13-18(16-8-11-27-14-16)24-9-4-1-5-10-24/h2-3,6-8,11,14,18H,1,4-5,9-10,12-13H2,(H,22,25)(H,23,26)
InChIKeyLNSIDTXNORGICY-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
N'-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[(4-chlorophenyl)methyl]oxamide
CID 40857959
N'-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 16932556
N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40848684
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931597
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide (CID 16932218) is N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC(c1ccsc1)N1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is LNSIDTXNORGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c21-17-7-3-2-6-15(17)12-22-19(25)20(26)23-13-18(16-8-11-27-14-16)24-9-4-1-5-10-24/h2-3,6-8,11,14,18H,1,4-5,9-10,12-13H2,(H,22,25)(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 405.95 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).