2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide

C27H30ClN3O5S — CID 17321010

IUPAC2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C27H30ClN3O5S/c1-27(2,36-22-12-8-20(28)9-13-22)26(32)29-21-10-14-23(15-11-21)37(33,34)31-18-16-30(17-19-31)24-6-4-5-7-25(24)35-3/h4-15H,16-19H2,1-3H3,(H,29,32)
InChIKeyDLUBMSXYYDYXLR-UHFFFAOYSA-N
MW544.07 g/mol
LogP4.66
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide (PubChem CID 17321010) has the molecular formula C27H30ClN3O5S and a molecular weight of 544.07 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
PubChem CID17321010
Molecular FormulaC27H30ClN3O5S
Molecular Weight544.07 g/mol
Exact Mass543.16
IUPAC Name2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C27H30ClN3O5S/c1-27(2,36-22-12-8-20(28)9-13-22)26(32)29-21-10-14-23(15-11-21)37(33,34)31-18-16-30(17-19-31)24-6-4-5-7-25(24)35-3/h4-15H,16-19H2,1-3H3,(H,29,32)
InChIKeyDLUBMSXYYDYXLR-UHFFFAOYSA-N
XLogP4.66
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.07
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321166
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
2-(4-bromophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320534
4-chloro-N-[2-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 18892691
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitrobenzamide
CID 17319594
2-(4-chlorophenoxy)-2-methyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 100518219
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide (CID 17321010) is 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The InChIKey is DLUBMSXYYDYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O5S/c1-27(2,36-22-12-8-20(28)9-13-22)26(32)29-21-10-14-23(15-11-21)37(33,34)31-18-16-30(17-19-31)24-6-4-5-7-25(24)35-3/h4-15H,16-19H2,1-3H3,(H,29,32).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide has a molecular weight of 544.07 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide is sourced from PubChem (CID 17321010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).