2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide

C28H23N3O3S — CID 142054348

IUPAC2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H23N3O3S/c32-28(30-35(33,34)26-15-12-22-8-4-5-9-24(22)19-26)27(18-21-6-2-1-3-7-21)23-10-13-25(14-11-23)31-17-16-29-20-31/h1-17,19-20,27H,18H2,(H,30,32)
InChIKeyNHEDAZFCPSABFP-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.86
Rot. Bonds7

About 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide

2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide (PubChem CID 142054348) has the molecular formula C28H23N3O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide
PubChem CID142054348
Molecular FormulaC28H23N3O3S
Molecular Weight481.58 g/mol
Exact Mass481.15
IUPAC Name2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C28H23N3O3S/c32-28(30-35(33,34)26-15-12-22-8-4-5-9-24(22)19-26)27(18-21-6-2-1-3-7-21)23-10-13-25(14-11-23)31-17-16-29-20-31/h1-17,19-20,27H,18H2,(H,30,32)
InChIKeyNHEDAZFCPSABFP-UHFFFAOYSA-N
XLogP4.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide?
The IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide (CID 142054348) is 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide?
The canonical SMILES for 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide is O=C(NS(=O)(=O)c1ccc2ccccc2c1)C(Cc1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide?
The InChIKey is NHEDAZFCPSABFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S/c32-28(30-35(33,34)26-15-12-22-8-4-5-9-24(22)19-26)27(18-21-6-2-1-3-7-21)23-10-13-25(14-11-23)31-17-16-29-20-31/h1-17,19-20,27H,18H2,(H,30,32).
What are the key properties of 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide?
2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide has a molecular weight of 481.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 142054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).