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

C19H16N2O4S2 — CID 121131867

IUPACN'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1
InChIInChI=1S/C19H16N2O4S2/c1-25-13-5-2-4-12(10-13)21-19(24)18(23)20-11-14-7-8-16(27-14)17(22)15-6-3-9-26-15/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyNRGAMPVHRPVMPY-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.30
Rot. Bonds6

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

N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 121131867) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID121131867
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1
InChIInChI=1S/C19H16N2O4S2/c1-25-13-5-2-4-12(10-13)21-19(24)18(23)20-11-14-7-8-16(27-14)17(22)15-6-3-9-26-15/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyNRGAMPVHRPVMPY-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
(E)-3-(3,4-dimethoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 121131727
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide (CID 121131867) is N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide is COc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is NRGAMPVHRPVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c1-25-13-5-2-4-12(10-13)21-19(24)18(23)20-11-14-7-8-16(27-14)17(22)15-6-3-9-26-15/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 400.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 121131867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).