4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide

C19H19N3O2S — CID 95183120

IUPAC4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@H]1NC(=S)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O
InChIInChI=1S/C19H19N3O2S/c1-13-18(24)22(19(25)21-13)16-9-7-15(8-10-16)17(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,25)/t13-/m1/s1
InChIKeyYSAQIIYUJZZHGQ-CYBMUJFWSA-N
MW353.45 g/mol
LogP2.27
Rot. Bonds5

About 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide

4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide (PubChem CID 95183120) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide
PubChem CID95183120
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide
SMILESC[C@H]1NC(=S)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O
InChIInChI=1S/C19H19N3O2S/c1-13-18(24)22(19(25)21-13)16-9-7-15(8-10-16)17(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,25)/t13-/m1/s1
InChIKeyYSAQIIYUJZZHGQ-CYBMUJFWSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-[(6-bromo-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 78356631
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
methyl 4-oxo-3-[[4-(2-phenylethylcarbamoyl)phenyl]methyl]-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxylate
CID 74531728
butyl 4-[(4S)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 26684097
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
CID 13473407
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
4-methoxy-N-[3-(4-methoxyphenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4247232
4-[(10S,15S)-10-(4-methylphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-N-(2-phenylethyl)benzamide
CID 95374350

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide (CID 95183120) is 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide is C[C@H]1NC(=S)N(c2ccc(C(=O)NCCc3ccccc3)cc2)C1=O.
What is the InChIKey of 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is YSAQIIYUJZZHGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-18(24)22(19(25)21-13)16-9-7-15(8-10-16)17(23)20-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,25)/t13-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide?
4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 353.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 95183120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).