[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate

C26H33N3O5S — CID 42971999

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C26H33N3O5S/c1-20(25(30)27-23-11-5-6-12-23)34-26(31)22-10-7-13-24(18-22)35(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-4,7-10,13,18,20,23H,5-6,11-12,14-17,19H2,1H3,(H,27,30)
InChIKeyJZAMDMMEVBYVQZ-UHFFFAOYSA-N
MW499.63 g/mol
LogP2.80
Rot. Bonds8

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate (PubChem CID 42971999) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
PubChem CID42971999
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C26H33N3O5S/c1-20(25(30)27-23-11-5-6-12-23)34-26(31)22-10-7-13-24(18-22)35(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-4,7-10,13,18,20,23H,5-6,11-12,14-17,19H2,1H3,(H,27,30)
InChIKeyJZAMDMMEVBYVQZ-UHFFFAOYSA-N
XLogP2.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 7981429
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 7981435
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate
CID 7536778
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699481
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 98652937
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 42971821
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 55417675
3-(4-benzylpiperazin-1-yl)sulfonyl-N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 55608837
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate
CID 55321654
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate (CID 42971999) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate is CC(OC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate?
The InChIKey is JZAMDMMEVBYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-20(25(30)27-23-11-5-6-12-23)34-26(31)22-10-7-13-24(18-22)35(32,33)29-16-14-28(15-17-29)19-21-8-3-2-4-9-21/h2-4,7-10,13,18,20,23H,5-6,11-12,14-17,19H2,1H3,(H,27,30).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate has a molecular weight of 499.63 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 42971999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).