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

C19H29N3O5S2 — CID 55756704

IUPAC3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O5S2/c1-21-11-13-22(14-12-21)29(26,27)18-8-6-16(7-9-18)20-19(23)10-15-28(24,25)17-4-2-3-5-17/h6-9,17H,2-5,10-15H2,1H3,(H,20,23)
InChIKeyHGACNGMELKREFX-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.31
Rot. Bonds7

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

3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 55756704) has the molecular formula C19H29N3O5S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID55756704
Molecular FormulaC19H29N3O5S2
Molecular Weight443.59 g/mol
Exact Mass443.15
IUPAC Name3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C19H29N3O5S2/c1-21-11-13-22(14-12-21)29(26,27)18-8-6-16(7-9-18)20-19(23)10-15-28(24,25)17-4-2-3-5-17/h6-9,17H,2-5,10-15H2,1H3,(H,20,23)
InChIKeyHGACNGMELKREFX-UHFFFAOYSA-N
XLogP1.31
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 55864853
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3158623
4-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 47046843
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
3-cyclopentylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 47045019
3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47041448

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 55756704) is 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)CC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is HGACNGMELKREFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S2/c1-21-11-13-22(14-12-21)29(26,27)18-8-6-16(7-9-18)20-19(23)10-15-28(24,25)17-4-2-3-5-17/h6-9,17H,2-5,10-15H2,1H3,(H,20,23).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 443.59 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 55756704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).