N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

C18H23N3O2S — CID 16932052

IUPACN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)10-19-17(22)18(23)20-11-16(21(2)3)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZUKBGXKGVDKGRV-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.09
Rot. Bonds6

About N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 16932052) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID16932052
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC(c2ccsc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)10-19-17(22)18(23)20-11-16(21(2)3)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyZUKBGXKGVDKGRV-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
Proline scaffold, 28
CID 42618125
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
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
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
CID 6085579
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 16932052) is N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC(c2ccsc2)N(C)C)cc1.
What is the InChIKey of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is ZUKBGXKGVDKGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)10-19-17(22)18(23)20-11-16(21(2)3)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 345.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 16932052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).