N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C20H29N5O5S — CID 55383950

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)CCCN3C(=O)CN(C)C3=O)c2)CC1
InChIInChI=1S/C20H29N5O5S/c1-3-23-10-12-24(13-11-23)31(29,30)17-7-4-6-16(14-17)21-18(26)8-5-9-25-19(27)15-22(2)20(25)28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,21,26)
InChIKeyFUFQOSDQSPWSOW-UHFFFAOYSA-N
MW451.55 g/mol
LogP0.63
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 55383950) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID55383950
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)CCCN3C(=O)CN(C)C3=O)c2)CC1
InChIInChI=1S/C20H29N5O5S/c1-3-23-10-12-24(13-11-23)31(29,30)17-7-4-6-16(14-17)21-18(26)8-5-9-25-19(27)15-22(2)20(25)28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,21,26)
InChIKeyFUFQOSDQSPWSOW-UHFFFAOYSA-N
XLogP0.63
TPSA110.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375848
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 55383406
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylpropanamide
CID 37052401
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-pyrazol-1-ylbutanamide
CID 49319709
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 55383950) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)CCCN3C(=O)CN(C)C3=O)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is FUFQOSDQSPWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-3-23-10-12-24(13-11-23)31(29,30)17-7-4-6-16(14-17)21-18(26)8-5-9-25-19(27)15-22(2)20(25)28/h4,6-7,14H,3,5,8-13,15H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 451.55 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 55383950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).