N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

C16H18F2N4O4S — CID 9273561

IUPACN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
SMILESCC1(C)NC(=O)N(CCC(=O)NNC(=O)CSc2cc(F)ccc2F)C1=O
InChIInChI=1S/C16H18F2N4O4S/c1-16(2)14(25)22(15(26)19-16)6-5-12(23)20-21-13(24)8-27-11-7-9(17)3-4-10(11)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyUSFISZMJHHTTTN-UHFFFAOYSA-N
MW400.41 g/mol
LogP0.92
Rot. Bonds6

About N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide (PubChem CID 9273561) has the molecular formula C16H18F2N4O4S and a molecular weight of 400.41 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
PubChem CID9273561
Molecular FormulaC16H18F2N4O4S
Molecular Weight400.41 g/mol
Exact Mass400.10
IUPAC NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
SMILESCC1(C)NC(=O)N(CCC(=O)NNC(=O)CSc2cc(F)ccc2F)C1=O
InChIInChI=1S/C16H18F2N4O4S/c1-16(2)14(25)22(15(26)19-16)6-5-12(23)20-21-13(24)8-27-11-7-9(17)3-4-10(11)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,26)(H,20,23)(H,21,24)
InChIKeyUSFISZMJHHTTTN-UHFFFAOYSA-N
XLogP0.92
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35363250
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(4-fluorophenyl)propylideneamino]propanamide
CID 9213702
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
5-chloro-N'-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
CID 9273581
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 40795155
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 9213604
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-methylphenoxy)acetohydrazide
CID 9320723
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 17419729
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213512

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide (CID 9273561) is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide is CC1(C)NC(=O)N(CCC(=O)NNC(=O)CSc2cc(F)ccc2F)C1=O.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The InChIKey is USFISZMJHHTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O4S/c1-16(2)14(25)22(15(26)19-16)6-5-12(23)20-21-13(24)8-27-11-7-9(17)3-4-10(11)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,26)(H,20,23)(H,21,24).
What are the key properties of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide has a molecular weight of 400.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide is sourced from PubChem (CID 9273561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).