N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide

C19H17ClN2O3S — CID 163347266

IUPACN'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccco3)s2)cc1Cl
InChIInChI=1S/C19H17ClN2O3S/c1-12-4-5-13(11-15(12)20)22-19(24)18(23)21-9-8-14-6-7-17(26-14)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNZWAXBRRFPNLFU-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.27
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide (PubChem CID 163347266) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
PubChem CID163347266
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccco3)s2)cc1Cl
InChIInChI=1S/C19H17ClN2O3S/c1-12-4-5-13(11-15(12)20)22-19(24)18(23)21-9-8-14-6-7-17(26-14)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,21,23)(H,22,24)
InChIKeyNZWAXBRRFPNLFU-UHFFFAOYSA-N
XLogP4.27
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]-N'-phenyloxamide
CID 163347218
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
4-(dimethylamino)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347241
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide (CID 163347266) is N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccco3)s2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide?
The InChIKey is NZWAXBRRFPNLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-4-5-13(11-15(12)20)22-19(24)18(23)21-9-8-14-6-7-17(26-14)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide has a molecular weight of 388.88 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide is sourced from PubChem (CID 163347266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).