3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

C23H30N4O3S — CID 31826579

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-26-14-16-27(17-15-26)22-5-3-2-4-21(22)24-23(28)13-8-18-6-11-20(12-7-18)31(29,30)25-19-9-10-19/h2-7,11-12,19,25H,8-10,13-17H2,1H3,(H,24,28)
InChIKeyHDCAWSGZJPLXHM-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.45
Rot. Bonds8

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 31826579) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID31826579
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCN1CCN(c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-26-14-16-27(17-15-26)22-5-3-2-4-21(22)24-23(28)13-8-18-6-11-20(12-7-18)31(29,30)25-19-9-10-19/h2-7,11-12,19,25H,8-10,13-17H2,1H3,(H,24,28)
InChIKeyHDCAWSGZJPLXHM-UHFFFAOYSA-N
XLogP2.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557830
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
CID 34283045
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 31826579) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is CN1CCN(c2ccccc2NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is HDCAWSGZJPLXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-26-14-16-27(17-15-26)22-5-3-2-4-21(22)24-23(28)13-8-18-6-11-20(12-7-18)31(29,30)25-19-9-10-19/h2-7,11-12,19,25H,8-10,13-17H2,1H3,(H,24,28).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 442.59 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 31826579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).