N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide

C19H20N2O4S — CID 90613141

IUPACN'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)NCC1CCCO1
InChIInChI=1S/C19H20N2O4S/c22-17(13-5-2-1-3-6-13)16-9-8-15(26-16)12-21-19(24)18(23)20-11-14-7-4-10-25-14/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,20,23)(H,21,24)
InChIKeyBDCBJJSFPNRPKK-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.89
Rot. Bonds6

About N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 90613141) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID90613141
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)NCC1CCCO1
InChIInChI=1S/C19H20N2O4S/c22-17(13-5-2-1-3-6-13)16-9-8-15(26-16)12-21-19(24)18(23)20-11-14-7-4-10-25-14/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,20,23)(H,21,24)
InChIKeyBDCBJJSFPNRPKK-UHFFFAOYSA-N
XLogP1.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
CID 90612849
2-oxo-N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 108507662
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 6346464
N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-nitrophenyl)oxamide
CID 90613118
1-(2-benzoylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51390207
1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51390206
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507625

Frequently Asked Questions

What is the IUPAC name of N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 90613141) is N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is BDCBJJSFPNRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-17(13-5-2-1-3-6-13)16-9-8-15(26-16)12-21-19(24)18(23)20-11-14-7-4-10-25-14/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 372.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 90613141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).