N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

C19H21N3O4S — CID 12005921

IUPACN'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-4-6-14(7-5-13)11-20-17(23)18(24)21-12-16-22(8-9-26-16)19(25)15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyIUPRKNSOVGIKFS-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.29
Rot. Bonds5

About N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide

N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 12005921) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID12005921
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-4-6-14(7-5-13)11-20-17(23)18(24)21-12-16-22(8-9-26-16)19(25)15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyIUPRKNSOVGIKFS-UHFFFAOYSA-N
XLogP1.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.29
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

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CID 2179888
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CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
4-tert-Butyl-N-[1-(morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 1894056
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide (CID 12005921) is N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is IUPRKNSOVGIKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-4-6-14(7-5-13)11-20-17(23)18(24)21-12-16-22(8-9-26-16)19(25)15-3-2-10-27-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 387.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 12005921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).