N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

C24H27N3O4S — CID 4801384

IUPACN-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-18-7-10-23(31-2)22(15-18)25-24(28)17-26-11-13-27(14-12-26)32(29,30)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14,17H2,1-2H3,(H,25,28)
InChIKeySYCIXYJAYQYGCK-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.10
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 4801384) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID4801384
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-18-7-10-23(31-2)22(15-18)25-24(28)17-26-11-13-27(14-12-26)32(29,30)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14,17H2,1-2H3,(H,25,28)
InChIKeySYCIXYJAYQYGCK-UHFFFAOYSA-N
XLogP3.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 4801384) is N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is SYCIXYJAYQYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-18-7-10-23(31-2)22(15-18)25-24(28)17-26-11-13-27(14-12-26)32(29,30)21-9-8-19-5-3-4-6-20(19)16-21/h3-10,15-16H,11-14,17H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 453.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4801384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).