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

C19H15ClN2O3S2 — CID 90612781

IUPACN'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl
InChIInChI=1S/C19H15ClN2O3S2/c1-11-2-3-13(8-15(11)20)22-19(25)18(24)21-9-14-4-5-16(27-14)17(23)12-6-7-26-10-12/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGSXVNFYHGFYGOU-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.26
Rot. Bonds5

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

N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612781) has the molecular formula C19H15ClN2O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612781
Molecular FormulaC19H15ClN2O3S2
Molecular Weight418.93 g/mol
Exact Mass418.02
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl
InChIInChI=1S/C19H15ClN2O3S2/c1-11-2-3-13(8-15(11)20)22-19(25)18(24)21-9-14-4-5-16(27-14)17(23)12-6-7-26-10-12/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25)
InChIKeyGSXVNFYHGFYGOU-UHFFFAOYSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.26
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'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612793
N'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
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
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612781) is N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is GSXVNFYHGFYGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S2/c1-11-2-3-13(8-15(11)20)22-19(25)18(24)21-9-14-4-5-16(27-14)17(23)12-6-7-26-10-12/h2-8,10H,9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 418.93 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).