N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide

C19H21N3O4S — CID 25483472

IUPACN-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)o1
InChIInChI=1S/C19H21N3O4S/c1-12-8-9-13(26-12)10-22(3)16(23)14-6-4-5-7-15(14)27-11-19(2)17(24)20-18(25)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21,24,25)/t19-/m1/s1
InChIKeyXXLBCYQPGVRTHF-LJQANCHMSA-N
MW387.46 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide

N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 25483472) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID25483472
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)o1
InChIInChI=1S/C19H21N3O4S/c1-12-8-9-13(26-12)10-22(3)16(23)14-6-4-5-7-15(14)27-11-19(2)17(24)20-18(25)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21,24,25)/t19-/m1/s1
InChIKeyXXLBCYQPGVRTHF-LJQANCHMSA-N
XLogP2.55
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.55
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

3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 35966276
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenoxybenzamide
CID 2481385
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 60816381
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 24517555
2-(3-bromophenoxy)ethyl 2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoate
CID 4786068
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 25483472) is N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)o1.
What is the InChIKey of N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is XXLBCYQPGVRTHF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-8-9-13(26-12)10-22(3)16(23)14-6-4-5-7-15(14)27-11-19(2)17(24)20-18(25)21-19/h4-9H,10-11H2,1-3H3,(H2,20,21,24,25)/t19-/m1/s1.
What are the key properties of N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 25483472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).