N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide

C20H18N2O3S2 — CID 90612754

IUPACN'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1
InChIInChI=1S/C20H18N2O3S2/c1-12-3-4-13(2)16(9-12)22-20(25)19(24)21-10-15-5-6-17(27-15)18(23)14-7-8-26-11-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySZDRNCFHRVUAKZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.91
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide

N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612754) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612754
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1
InChIInChI=1S/C20H18N2O3S2/c1-12-3-4-13(2)16(9-12)22-20(25)19(24)21-10-15-5-6-17(27-15)18(23)14-7-8-26-11-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySZDRNCFHRVUAKZ-UHFFFAOYSA-N
XLogP3.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.91
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

N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612793
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90612845
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612754) is N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is SZDRNCFHRVUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-12-3-4-13(2)16(9-12)22-20(25)19(24)21-10-15-5-6-17(27-15)18(23)14-7-8-26-11-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 398.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).