N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C17H22N4O5S — CID 9172045

IUPACN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C17H22N4O5S/c1-3-17(2)15(23)21(16(24)18-17)19-14(22)12-6-8-13(9-7-12)27(25,26)20-10-4-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,24)(H,19,22)/t17-/m1/s1
InChIKeyBKIPSSFKMKPRQJ-QGZVFWFLSA-N
MW394.45 g/mol
LogP0.84
Rot. Bonds5

About N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9172045) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9172045
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C17H22N4O5S/c1-3-17(2)15(23)21(16(24)18-17)19-14(22)12-6-8-13(9-7-12)27(25,26)20-10-4-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,24)(H,19,22)/t17-/m1/s1
InChIKeyBKIPSSFKMKPRQJ-QGZVFWFLSA-N
XLogP0.84
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41095890
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 41083016
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16573959
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 166185719
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9172045) is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O.
What is the InChIKey of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BKIPSSFKMKPRQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-3-17(2)15(23)21(16(24)18-17)19-14(22)12-6-8-13(9-7-12)27(25,26)20-10-4-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,18,24)(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 394.45 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9172045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).