N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C21H22N4O5S — CID 41203446

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C21H22N4O5S/c1-21(16-7-3-2-4-8-16)19(27)25(20(28)22-21)23-18(26)15-9-11-17(12-10-15)31(29,30)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyLHGVOANAUXJEQK-NRFANRHFSA-N
MW442.50 g/mol
LogP1.58
Rot. Bonds5

About N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 41203446) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID41203446
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C21H22N4O5S/c1-21(16-7-3-2-4-8-16)19(27)25(20(28)22-21)23-18(26)15-9-11-17(12-10-15)31(29,30)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1
InChIKeyLHGVOANAUXJEQK-NRFANRHFSA-N
XLogP1.58
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.58
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

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9172045
1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 166185719
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41214600
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55369820
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313
3-chloro-4,5-dimethoxy-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 52990929
[4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55342948
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16573959

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 41203446) is N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LHGVOANAUXJEQK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-21(16-7-3-2-4-8-16)19(27)25(20(28)22-21)23-18(26)15-9-11-17(12-10-15)31(29,30)24-13-5-6-14-24/h2-4,7-12H,5-6,13-14H2,1H3,(H,22,28)(H,23,26)/t21-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 442.50 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 41203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).