N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

C23H35N3O5S — CID 139000371

IUPACN-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCCOC3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O5S/c1-19-7-9-21(10-8-19)32(29,30)26-16-14-25(15-17-26)23(28)12-11-22(27)24-13-4-18-31-20-5-2-3-6-20/h7-10,20H,2-6,11-18H2,1H3,(H,24,27)
InChIKeySHGZSNCDDNIMQY-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.07
Rot. Bonds10

About N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide

N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide (PubChem CID 139000371) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
PubChem CID139000371
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC NameN-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCCOC3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O5S/c1-19-7-9-21(10-8-19)32(29,30)26-16-14-25(15-17-26)23(28)12-11-22(27)24-13-4-18-31-20-5-2-3-6-20/h7-10,20H,2-6,11-18H2,1H3,(H,24,27)
InChIKeySHGZSNCDDNIMQY-UHFFFAOYSA-N
XLogP2.07
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide;hydrochloride
CID 119383883
N-(3-cyclohexyloxypropyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 55794163
(2S)-N-(3-cyclohexyloxypropyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43012791
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
1-cyclohexyl-3-[4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-4-oxobutyl]urea
CID 16614916
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide
CID 55572982
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
N-[(2R)-2-hydroxypentyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 100648017
N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 27508752
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-(2-methoxy-5-methylphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 4965003
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-cyclopentyloxypropyl)acetamide
CID 30213587

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide (CID 139000371) is N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCCOC3CCCC3)CC2)cc1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
The InChIKey is SHGZSNCDDNIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-19-7-9-21(10-8-19)32(29,30)26-16-14-25(15-17-26)23(28)12-11-22(27)24-13-4-18-31-20-5-2-3-6-20/h7-10,20H,2-6,11-18H2,1H3,(H,24,27).
What are the key properties of N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide?
N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide has a molecular weight of 465.62 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 139000371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).