N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide

C19H22N4O4S — CID 16932143

IUPACN'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O4S/c24-18(19(25)21-15-4-6-16(7-5-15)23(26)27)20-12-17(14-8-11-28-13-14)22-9-2-1-3-10-22/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,24)(H,21,25)
InChIKeyPPNTVQJRFPAAEU-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.94
Rot. Bonds6

About N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide

N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 16932143) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID16932143
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCC(c1ccsc1)N1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N4O4S/c24-18(19(25)21-15-4-6-16(7-5-15)23(26)27)20-12-17(14-8-11-28-13-14)22-9-2-1-3-10-22/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,24)(H,21,25)
InChIKeyPPNTVQJRFPAAEU-UHFFFAOYSA-N
XLogP2.94
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N'-(3-nitrophenyl)oxamide
CID 16932326
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16932538
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-nitrophenyl)oxamide
CID 7639608
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(4-nitrophenyl)oxamide
CID 18583613
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(3-fluorophenyl)oxamide
CID 40858311
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514
1-(4-methylphenyl)-3-(2-piperidin-1-yl-2-thiophen-3-ylethyl)urea
CID 16931316
N'-(3-methoxyphenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932195
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 16932603

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide (CID 16932143) is N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide is O=C(NCC(c1ccsc1)N1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is PPNTVQJRFPAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c24-18(19(25)21-15-4-6-16(7-5-15)23(26)27)20-12-17(14-8-11-28-13-14)22-9-2-1-3-10-22/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,24)(H,21,25).
What are the key properties of N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide?
N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 402.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 16932143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).