N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

C23H22N4O3S — CID 42886152

IUPACN-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESCn1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H22N4O3S/c1-27-14-13-22(25-27)24-23(28)21(15-17-7-3-2-4-8-17)26-31(29,30)20-12-11-18-9-5-6-10-19(18)16-20/h2-14,16,21,26H,15H2,1H3,(H,24,25,28)
InChIKeyWOURDRIQTGPBHY-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.10
Rot. Bonds7

About N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 42886152) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
PubChem CID42886152
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESCn1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H22N4O3S/c1-27-14-13-22(25-27)24-23(28)21(15-17-7-3-2-4-8-17)26-31(29,30)20-12-11-18-9-5-6-10-19(18)16-20/h2-14,16,21,26H,15H2,1H3,(H,24,25,28)
InChIKeyWOURDRIQTGPBHY-UHFFFAOYSA-N
XLogP3.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (CID 42886152) is N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is Cn1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is WOURDRIQTGPBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-27-14-13-22(25-27)24-23(28)21(15-17-7-3-2-4-8-17)26-31(29,30)20-12-11-18-9-5-6-10-19(18)16-20/h2-14,16,21,26H,15H2,1H3,(H,24,25,28).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 434.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 42886152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).