4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C23H30N4O4S — CID 18580936

IUPAC4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H30N4O4S/c1-18-4-8-20(9-5-18)16-24-22(28)17-27(23(29)26-14-12-25(3)13-15-26)32(30,31)21-10-6-19(2)7-11-21/h4-11H,12-17H2,1-3H3,(H,24,28)
InChIKeyFGAGOVDCIJKHEZ-UHFFFAOYSA-N
MW458.58 g/mol
LogP1.98
Rot. Bonds6

About 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 18580936) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID18580936
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H30N4O4S/c1-18-4-8-20(9-5-18)16-24-22(28)17-27(23(29)26-14-12-25(3)13-15-26)32(30,31)21-10-6-19(2)7-11-21/h4-11H,12-17H2,1-3H3,(H,24,28)
InChIKeyFGAGOVDCIJKHEZ-UHFFFAOYSA-N
XLogP1.98
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 18580936) is 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(CNC(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is FGAGOVDCIJKHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-18-4-8-20(9-5-18)16-24-22(28)17-27(23(29)26-14-12-25(3)13-15-26)32(30,31)21-10-6-19(2)7-11-21/h4-11H,12-17H2,1-3H3,(H,24,28).
What are the key properties of 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 18580936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).