N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide

C20H21N3O4S — CID 9400622

IUPACN-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-20(18(25)22-19(26)23-20)12-28-16-6-4-3-5-15(16)17(24)21-11-13-7-9-14(27-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,21,24)(H2,22,23,25,26)/t20-/m0/s1
InChIKeyMSAUIFMQGYNXDF-FQEVSTJZSA-N
MW399.47 g/mol
LogP2.32
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide (PubChem CID 9400622) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
PubChem CID9400622
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-20(18(25)22-19(26)23-20)12-28-16-6-4-3-5-15(16)17(24)21-11-13-7-9-14(27-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,21,24)(H2,22,23,25,26)/t20-/m0/s1
InChIKeyMSAUIFMQGYNXDF-FQEVSTJZSA-N
XLogP2.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.32
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-[(2-methoxyphenyl)methyl]-2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9404800
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42920164
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42908829
N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42883894
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365297
[(1S)-1-phenylethyl] 2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 9358085
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
(2-anilino-2-oxoethyl) 2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 8506602
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9490441
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 41257208

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide (CID 9400622) is N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide is COc1ccc(CNC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide?
The InChIKey is MSAUIFMQGYNXDF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-20(18(25)22-19(26)23-20)12-28-16-6-4-3-5-15(16)17(24)21-11-13-7-9-14(27-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,21,24)(H2,22,23,25,26)/t20-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide?
N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide is sourced from PubChem (CID 9400622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).