4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide

C17H17N3O2S — CID 78831513

IUPAC4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-23-15-8-2-12(3-9-15)16(21)19-13-4-6-14(7-5-13)20-11-10-18-17(20)22/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNRERAACXVOEMJQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds4

About 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide

4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide (PubChem CID 78831513) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
PubChem CID78831513
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-23-15-8-2-12(3-9-15)16(21)19-13-4-6-14(7-5-13)20-11-10-18-17(20)22/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNRERAACXVOEMJQ-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
N-[4-(4-methylphenoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055639
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzamide
CID 134055766
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
N-[4-(difluoromethoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299065
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51300167
4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide
CID 60563637
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
3-(dimethylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299898
5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 52545770

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide (CID 78831513) is 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide is CSc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The InChIKey is NRERAACXVOEMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-23-15-8-2-12(3-9-15)16(21)19-13-4-6-14(7-5-13)20-11-10-18-17(20)22/h2-9H,10-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 78831513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).