N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide

C19H17N5O2S — CID 155801215

IUPACN'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccccc3C#N)s2)cn1
InChIInChI=1S/C19H17N5O2S/c1-24-12-14(11-22-24)17-7-6-15(27-17)8-9-21-18(25)19(26)23-16-5-3-2-4-13(16)10-20/h2-7,11-12H,8-9H2,1H3,(H,21,25)(H,23,26)
InChIKeyIRIBFQASEDKEOW-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.32
Rot. Bonds5

About N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide

N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide (PubChem CID 155801215) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
PubChem CID155801215
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccccc3C#N)s2)cn1
InChIInChI=1S/C19H17N5O2S/c1-24-12-14(11-22-24)17-7-6-15(27-17)8-9-21-18(25)19(26)23-16-5-3-2-4-13(16)10-20/h2-7,11-12H,8-9H2,1H3,(H,21,25)(H,23,26)
InChIKeyIRIBFQASEDKEOW-UHFFFAOYSA-N
XLogP2.32
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.32
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'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155801263
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
CID 155981904
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 121019470
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 154576774
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide (CID 155801215) is N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide is Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3ccccc3C#N)s2)cn1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide?
The InChIKey is IRIBFQASEDKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-24-12-14(11-22-24)17-7-6-15(27-17)8-9-21-18(25)19(26)23-16-5-3-2-4-13(16)10-20/h2-7,11-12H,8-9H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide has a molecular weight of 379.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide is sourced from PubChem (CID 155801215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).