N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide

C20H22N4O5S — CID 41083016

IUPACN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C20H22N4O5S/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)14-7-11-16(12-8-14)30(28,29)23-15-9-5-13(2)6-10-15/h5-12,23H,4H2,1-3H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyOUGYKMZMBWWKPD-FQEVSTJZSA-N
MW430.49 g/mol
LogP2.16
Rot. Bonds6

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 41083016) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID41083016
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O
InChIInChI=1S/C20H22N4O5S/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)14-7-11-16(12-8-14)30(28,29)23-15-9-5-13(2)6-10-15/h5-12,23H,4H2,1-3H3,(H,21,27)(H,22,25)/t20-/m0/s1
InChIKeyOUGYKMZMBWWKPD-FQEVSTJZSA-N
XLogP2.16
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
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
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 41083016) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide is CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is OUGYKMZMBWWKPD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)14-7-11-16(12-8-14)30(28,29)23-15-9-5-13(2)6-10-15/h5-12,23H,4H2,1-3H3,(H,21,27)(H,22,25)/t20-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 430.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 41083016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).