4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide

C20H26N4O4S — CID 14998850

IUPAC4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyKSSFMKSIGXBNOC-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.27
Rot. Bonds7

About 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide

4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide (PubChem CID 14998850) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide
PubChem CID14998850
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide
SMILESCOc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25)
InChIKeyKSSFMKSIGXBNOC-UHFFFAOYSA-N
XLogP1.27
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide (CID 14998850) is 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide is COc1ccccc1N1CCNC(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide?
The InChIKey is KSSFMKSIGXBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-28-19-6-4-3-5-18(19)24-12-11-21-17(14-24)13-22-20(25)15-7-9-16(10-8-15)23-29(2,26)27/h3-10,17,21,23H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide?
4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[[4-(2-methoxyphenyl)piperazin-2-yl]methyl]benzamide is sourced from PubChem (CID 14998850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).