N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide

C18H20N2O3S — CID 91631359

IUPACN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O3S/c1-23-18(9-13-5-2-3-6-14(13)10-18)12-20-17(22)16(21)19-11-15-7-4-8-24-15/h2-8H,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyKHMFCGRMKNJNGV-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.66
Rot. Bonds5

About N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 91631359) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID91631359
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O3S/c1-23-18(9-13-5-2-3-6-14(13)10-18)12-20-17(22)16(21)19-11-15-7-4-8-24-15/h2-8H,9-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyKHMFCGRMKNJNGV-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide (CID 91631359) is N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide is COC1(CNC(=O)C(=O)NCc2cccs2)Cc2ccccc2C1.
What is the InChIKey of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is KHMFCGRMKNJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-18(9-13-5-2-3-6-14(13)10-18)12-20-17(22)16(21)19-11-15-7-4-8-24-15/h2-8H,9-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 344.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 91631359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).