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

C22H25N3O3S — CID 42883894

IUPACN-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SCC2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-4-7-15-10-12-16(13-11-15)23-19(26)17-8-5-6-9-18(17)29-14-22(2)20(27)24-21(28)25-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26)(H2,24,25,27,28)
InChIKeyJDRYLHDYYBGSLD-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.97
Rot. Bonds8

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

N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide (PubChem CID 42883894) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
PubChem CID42883894
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SCC2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-4-7-15-10-12-16(13-11-15)23-19(26)17-8-5-6-9-18(17)29-14-22(2)20(27)24-21(28)25-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26)(H2,24,25,27,28)
InChIKeyJDRYLHDYYBGSLD-UHFFFAOYSA-N
XLogP3.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42920164
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9490441
(2-anilino-2-oxoethyl) 2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 8506602
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628497
[(1S)-1-phenylethyl] 2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 9358085
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 26843691
N-(4-butoxyphenyl)-2-[[2-[(4-butoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 15165551

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide (CID 42883894) is N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide is CCCCc1ccc(NC(=O)c2ccccc2SCC2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The InChIKey is JDRYLHDYYBGSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-4-7-15-10-12-16(13-11-15)23-19(26)17-8-5-6-9-18(17)29-14-22(2)20(27)24-21(28)25-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide has a molecular weight of 411.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 42883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).