N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C22H20N4O5S2 — CID 30006239

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1=O
InChIInChI=1S/C22H20N4O5S2/c1-22(16-8-3-2-4-9-16)20(28)26(21(29)24-22)25-19(27)15-7-5-11-18(13-15)33(30,31)23-14-17-10-6-12-32-17/h2-13,23H,14H2,1H3,(H,24,29)(H,25,27)/t22-/m0/s1
InChIKeyNHABPEDLUFKJCG-QFIPXVFZSA-N
MW484.56 g/mol
LogP2.34
Rot. Bonds7

About N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 30006239) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID30006239
Molecular FormulaC22H20N4O5S2
Molecular Weight484.56 g/mol
Exact Mass484.09
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1=O
InChIInChI=1S/C22H20N4O5S2/c1-22(16-8-3-2-4-9-16)20(28)26(21(29)24-22)25-19(27)15-7-5-11-18(13-15)33(30,31)23-14-17-10-6-12-32-17/h2-13,23H,14H2,1H3,(H,24,29)(H,25,27)/t22-/m0/s1
InChIKeyNHABPEDLUFKJCG-QFIPXVFZSA-N
XLogP2.34
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55369820
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
3-[(pyridine-3-carbonylamino)carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35017463
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8769723
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 30006239) is N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is NHABPEDLUFKJCG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N4O5S2/c1-22(16-8-3-2-4-9-16)20(28)26(21(29)24-22)25-19(27)15-7-5-11-18(13-15)33(30,31)23-14-17-10-6-12-32-17/h2-13,23H,14H2,1H3,(H,24,29)(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 484.56 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 30006239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).