N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide

C18H21N3O4S — CID 126852189

IUPACN'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)Cc2ccsc2)c1
InChIInChI=1S/C18H21N3O4S/c1-12(22)20-14-4-3-5-15(8-14)21-17(24)16(23)19-11-18(2,25)9-13-6-7-26-10-13/h3-8,10,25H,9,11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWBFQWZZGCAFVTP-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.75
Rot. Bonds6

About N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide

N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide (PubChem CID 126852189) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
PubChem CID126852189
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)Cc2ccsc2)c1
InChIInChI=1S/C18H21N3O4S/c1-12(22)20-14-4-3-5-15(8-14)21-17(24)16(23)19-11-18(2,25)9-13-6-7-26-10-13/h3-8,10,25H,9,11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWBFQWZZGCAFVTP-UHFFFAOYSA-N
XLogP1.75
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852187
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3-acetamidophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499460
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide (CID 126852189) is N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCC(C)(O)Cc2ccsc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
The InChIKey is WBFQWZZGCAFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12(22)20-14-4-3-5-15(8-14)21-17(24)16(23)19-11-18(2,25)9-13-6-7-26-10-13/h3-8,10,25H,9,11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide?
N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide has a molecular weight of 375.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide is sourced from PubChem (CID 126852189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).