N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide

C19H21N3O3S — CID 17024037

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide
SMILESCCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H21N3O3S/c1-2-22-14-15(13-21-22)12-20-19(23)9-10-26(24,25)18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,20,23)
InChIKeyXIWOKSMVAXGKIA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.54
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide (PubChem CID 17024037) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide
PubChem CID17024037
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide
SMILESCCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H21N3O3S/c1-2-22-14-15(13-21-22)12-20-19(23)9-10-26(24,25)18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,20,23)
InChIKeyXIWOKSMVAXGKIA-UHFFFAOYSA-N
XLogP2.54
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide (CID 17024037) is N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide is CCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide?
The InChIKey is XIWOKSMVAXGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-22-14-15(13-21-22)12-20-19(23)9-10-26(24,25)18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11,13-14H,2,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-naphthalen-2-ylsulfonylpropanamide is sourced from PubChem (CID 17024037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).