N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide

C20H22ClN3O3S — CID 17431429

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C20H22ClN3O3S/c1-3-11-20(14-7-5-4-6-8-14)18(26)24(19(27)22-20)13-17(25)23(2)12-15-9-10-16(21)28-15/h4-10H,3,11-13H2,1-2H3,(H,22,27)
InChIKeyQHRJJVQOFKJCQH-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.61
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide (PubChem CID 17431429) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
PubChem CID17431429
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C20H22ClN3O3S/c1-3-11-20(14-7-5-4-6-8-14)18(26)24(19(27)22-20)13-17(25)23(2)12-15-9-10-16(21)28-15/h4-10H,3,11-13H2,1-2H3,(H,22,27)
InChIKeyQHRJJVQOFKJCQH-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8572195
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 78621928
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650
N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide (CID 17431429) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide is CCCC1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(Cl)s2)C1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is QHRJJVQOFKJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c1-3-11-20(14-7-5-4-6-8-14)18(26)24(19(27)22-20)13-17(25)23(2)12-15-9-10-16(21)28-15/h4-10H,3,11-13H2,1-2H3,(H,22,27).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 419.93 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 17431429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).