N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C17H14Cl2N4O2S — CID 47093401

IUPACN-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)C(=O)c1cccs1
InChIInChI=1S/C17H14Cl2N4O2S/c1-23(17(25)14-3-2-4-26-14)9-16(24)20-15-8-13(21-22-15)10-5-11(18)7-12(19)6-10/h2-8H,9H2,1H3,(H2,20,21,22,24)
InChIKeyWKEOKLGIIVEUJQ-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.16
Rot. Bonds5

About N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 47093401) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID47093401
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC NameN-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)C(=O)c1cccs1
InChIInChI=1S/C17H14Cl2N4O2S/c1-23(17(25)14-3-2-4-26-14)9-16(24)20-15-8-13(21-22-15)10-5-11(18)7-12(19)6-10/h2-8H,9H2,1H3,(H2,20,21,22,24)
InChIKeyWKEOKLGIIVEUJQ-UHFFFAOYSA-N
XLogP4.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
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N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51102871
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
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N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
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CID 119457150
N-[2-[[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
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N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
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2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
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N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 47093401) is N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is WKEOKLGIIVEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c1-23(17(25)14-3-2-4-26-14)9-16(24)20-15-8-13(21-22-15)10-5-11(18)7-12(19)6-10/h2-8H,9H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 409.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47093401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).