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

C18H13ClN2O3S2 — CID 90612759

IUPACN'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S2/c19-12-1-3-13(4-2-12)21-18(24)17(23)20-9-14-5-6-15(26-14)16(22)11-7-8-25-10-11/h1-8,10H,9H2,(H,20,23)(H,21,24)
InChIKeyYDSRTNHJOCSPDU-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.95
Rot. Bonds5

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

N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612759) has the molecular formula C18H13ClN2O3S2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612759
Molecular FormulaC18H13ClN2O3S2
Molecular Weight404.90 g/mol
Exact Mass404.01
IUPAC NameN'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN2O3S2/c19-12-1-3-13(4-2-12)21-18(24)17(23)20-9-14-5-6-15(26-14)16(22)11-7-8-25-10-11/h1-8,10H,9H2,(H,20,23)(H,21,24)
InChIKeyYDSRTNHJOCSPDU-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-chlorophenyl)-N-[[5-(thiophene-3-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

N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612781
N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612793
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
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
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
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612759) is N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is YDSRTNHJOCSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S2/c19-12-1-3-13(4-2-12)21-18(24)17(23)20-9-14-5-6-15(26-14)16(22)11-7-8-25-10-11/h1-8,10H,9H2,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 404.90 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).