3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C26H36N4O5S2 — CID 99968141

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C26H36N4O5S2/c1-29-17-19-30(20-18-29)37(34,35)25-14-10-22(11-15-25)27-26(31)16-9-21-7-12-24(13-8-21)36(32,33)28-23-5-3-2-4-6-23/h7-8,10-15,23,28H,2-6,9,16-20H2,1H3,(H,27,31)
InChIKeyXRRISQOHMSJBEY-UHFFFAOYSA-N
MW548.73 g/mol
LogP2.81
Rot. Bonds9

About 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 99968141) has the molecular formula C26H36N4O5S2 and a molecular weight of 548.73 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID99968141
Molecular FormulaC26H36N4O5S2
Molecular Weight548.73 g/mol
Exact Mass548.21
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C26H36N4O5S2/c1-29-17-19-30(20-18-29)37(34,35)25-14-10-22(11-15-25)27-26(31)16-9-21-7-12-24(13-8-21)36(32,33)28-23-5-3-2-4-6-23/h7-8,10-15,23,28H,2-6,9,16-20H2,1H3,(H,27,31)
InChIKeyXRRISQOHMSJBEY-UHFFFAOYSA-N
XLogP2.81
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 99968197
4-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 47046843
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557830
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 99968141) is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is XRRISQOHMSJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5S2/c1-29-17-19-30(20-18-29)37(34,35)25-14-10-22(11-15-25)27-26(31)16-9-21-7-12-24(13-8-21)36(32,33)28-23-5-3-2-4-6-23/h7-8,10-15,23,28H,2-6,9,16-20H2,1H3,(H,27,31).
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 548.73 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 99968141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).