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

C19H15ClN2O4S2 — CID 90612793

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl
InChIInChI=1S/C19H15ClN2O4S2/c1-26-15-4-2-12(8-14(15)20)22-19(25)18(24)21-9-13-3-5-16(28-13)17(23)11-6-7-27-10-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyRIFRVVIRXMHUME-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.96
Rot. Bonds6

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

N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612793) has the molecular formula C19H15ClN2O4S2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612793
Molecular FormulaC19H15ClN2O4S2
Molecular Weight434.93 g/mol
Exact Mass434.02
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl
InChIInChI=1S/C19H15ClN2O4S2/c1-26-15-4-2-12(8-14(15)20)22-19(25)18(24)21-9-13-3-5-16(28-13)17(23)11-6-7-27-10-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyRIFRVVIRXMHUME-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
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
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612793) is N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is COc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is RIFRVVIRXMHUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4S2/c1-26-15-4-2-12(8-14(15)20)22-19(25)18(24)21-9-13-3-5-16(28-13)17(23)11-6-7-27-10-11/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 434.93 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).