N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide

C18H20N2O4S — CID 90497186

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H20N2O4S/c1-24-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-25-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJCQVXFDNXAJTRC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.11
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide (PubChem CID 90497186) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
PubChem CID90497186
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H20N2O4S/c1-24-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-25-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyJCQVXFDNXAJTRC-UHFFFAOYSA-N
XLogP2.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(4-methoxyphenyl)oxamide
CID 71788832
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea
CID 95982791
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 95379595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide (CID 90497186) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide?
The InChIKey is JCQVXFDNXAJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-14-6-3-2-5-13(14)20-17(22)16(21)19-11-18(23,12-8-9-12)15-7-4-10-25-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide has a molecular weight of 360.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 90497186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).