N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide

C23H25N3O3S — CID 1302058

IUPACN-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18-7-10-21(11-8-18)24(2)23(27)25-13-15-26(16-14-25)30(28,29)22-12-9-19-5-3-4-6-20(19)17-22/h3-12,17H,13-16H2,1-2H3
InChIKeyRXTAFHFBYRSNOA-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.71
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide

N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide (PubChem CID 1302058) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
PubChem CID1302058
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
SMILESCc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H25N3O3S/c1-18-7-10-21(11-8-18)24(2)23(27)25-13-15-26(16-14-25)30(28,29)22-12-9-19-5-3-4-6-20(19)17-22/h3-12,17H,13-16H2,1-2H3
InChIKeyRXTAFHFBYRSNOA-UHFFFAOYSA-N
XLogP3.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide (CID 1302058) is N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide is Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is RXTAFHFBYRSNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18-7-10-21(11-8-18)24(2)23(27)25-13-15-26(16-14-25)30(28,29)22-12-9-19-5-3-4-6-20(19)17-22/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 1302058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).