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

C19H15ClN2O3S2 — CID 90612780

IUPACN-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S2/c20-15-4-2-1-3-12(15)9-21-18(24)19(25)22-10-14-5-6-16(27-14)17(23)13-7-8-26-11-13/h1-8,11H,9-10H2,(H,21,24)(H,22,25)
InChIKeyBLNUAKOHGGHCRH-UHFFFAOYSA-N
MW418.93 g/mol
LogP3.63
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (PubChem CID 90612780) has the molecular formula C19H15ClN2O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
PubChem CID90612780
Molecular FormulaC19H15ClN2O3S2
Molecular Weight418.93 g/mol
Exact Mass418.02
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S2/c20-15-4-2-1-3-12(15)9-21-18(24)19(25)22-10-14-5-6-16(27-14)17(23)13-7-8-26-11-13/h1-8,11H,9-10H2,(H,21,24)(H,22,25)
InChIKeyBLNUAKOHGGHCRH-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.63
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'-(4-chlorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612759
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694
N'-(3-chloro-4-methylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612781
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
N'-(3-chloro-4-methoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612793
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
3-phenyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propanamide
CID 90612512
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
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-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide (CID 90612780) is N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
The InChIKey is BLNUAKOHGGHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S2/c20-15-4-2-1-3-12(15)9-21-18(24)19(25)22-10-14-5-6-16(27-14)17(23)13-7-8-26-11-13/h1-8,11H,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide has a molecular weight of 418.93 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 90612780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).