N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide

C22H23NO3S — CID 4046357

IUPACN-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3S/c1-22(2,3)18-9-11-19(12-10-18)23-21(24)15-27(25,26)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyBMZPTFLHUGRYSO-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.55
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide

N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 4046357) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
PubChem CID4046357
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
SMILESCC(C)(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3S/c1-22(2,3)18-9-11-19(12-10-18)23-21(24)15-27(25,26)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyBMZPTFLHUGRYSO-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
CID 3938895
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide (CID 4046357) is N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide is CC(C)(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is BMZPTFLHUGRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-22(2,3)18-9-11-19(12-10-18)23-21(24)15-27(25,26)20-13-8-16-6-4-5-7-17(16)14-20/h4-14H,15H2,1-3H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide?
N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 4046357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).