N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide

C20H18N2O5S2 — CID 90612790

IUPACN'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(OC)c1
InChIInChI=1S/C20H18N2O5S2/c1-26-13-3-5-15(16(9-13)27-2)22-20(25)19(24)21-10-14-4-6-17(29-14)18(23)12-7-8-28-11-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBZWVZGUATSECMN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.31
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612790) has the molecular formula C20H18N2O5S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612790
Molecular FormulaC20H18N2O5S2
Molecular Weight430.51 g/mol
Exact Mass430.07
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(OC)c1
InChIInChI=1S/C20H18N2O5S2/c1-26-13-3-5-15(16(9-13)27-2)22-20(25)19(24)21-10-14-4-6-17(29-14)18(23)12-7-8-28-11-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBZWVZGUATSECMN-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
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
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
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
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612790) is N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is BZWVZGUATSECMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S2/c1-26-13-3-5-15(16(9-13)27-2)22-20(25)19(24)21-10-14-4-6-17(29-14)18(23)12-7-8-28-11-12/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 430.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).