4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C23H27N5O5S — CID 55778710

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C23H27N5O5S/c29-21(25-18-5-4-6-19(17-18)28-12-11-24-23(28)31)9-10-22(30)26-13-15-27(16-14-26)34(32,33)20-7-2-1-3-8-20/h1-8,17H,9-16H2,(H,24,31)(H,25,29)
InChIKeyQKRJWMSYELMAOH-UHFFFAOYSA-N
MW485.57 g/mol
LogP1.47
Rot. Bonds7

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 55778710) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID55778710
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C23H27N5O5S/c29-21(25-18-5-4-6-19(17-18)28-12-11-24-23(28)31)9-10-22(30)26-13-15-27(16-14-26)34(32,33)20-7-2-1-3-8-20/h1-8,17H,9-16H2,(H,24,31)(H,25,29)
InChIKeyQKRJWMSYELMAOH-UHFFFAOYSA-N
XLogP1.47
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55738184
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)-4-oxobutanamide
CID 26577423
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 38258813
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(diethylaminomethyl)phenyl]-4-oxobutanamide
CID 55632599
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-4-oxobutanamide
CID 55508158
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 26589786
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 26500148
N-(4-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 51048648
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N'-[3-(trifluoromethyl)phenyl]butanehydrazide
CID 55509069

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 55778710) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is QKRJWMSYELMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c29-21(25-18-5-4-6-19(17-18)28-12-11-24-23(28)31)9-10-22(30)26-13-15-27(16-14-26)34(32,33)20-7-2-1-3-8-20/h1-8,17H,9-16H2,(H,24,31)(H,25,29).
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 485.57 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 55778710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).