N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

C17H16FN3O2S2 — CID 3498692

IUPACN-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
InChIInChI=1S/C17H16FN3O2S2/c1-20-16(23)14(21(17(20)24)10-13-3-2-8-25-13)9-15(22)19-12-6-4-11(18)5-7-12/h2-8,14H,9-10H2,1H3,(H,19,22)
InChIKeyFXLDSWUHIFVNKM-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.84
Rot. Bonds5

About N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 3498692) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID3498692
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC NameN-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
InChIInChI=1S/C17H16FN3O2S2/c1-20-16(23)14(21(17(20)24)10-13-3-2-8-25-13)9-15(22)19-12-6-4-11(18)5-7-12/h2-8,14H,9-10H2,1H3,(H,19,22)
InChIKeyFXLDSWUHIFVNKM-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
1-[1-(4-Chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 2958227
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918725
N-ethyl-2-{1-(4-fluorophenyl)-3-[2-(3-methylthien-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl}acetamide
CID 16193855
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16805981
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 16822439
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 24685979
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 654468
N-ethyl-2-{1-(4-methylphenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-4-imidazolidinyl}acetamide
CID 2962761
2-{2,5-dioxo-1-phenyl-3-[2-(thiophen-2-yl)ethyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
CID 4918756
(4aS,7aR)-3-(3-fluorophenyl)-2,4-dioxo-N-propyl-1-(thiophen-2-ylmethyl)-4a,6,7,7a-tetrahydropyrrolo[3,2-d]pyrimidine-5-carboxamide
CID 11884504

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (CID 3498692) is N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is CN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is FXLDSWUHIFVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-20-16(23)14(21(17(20)24)10-13-3-2-8-25-13)9-15(22)19-12-6-4-11(18)5-7-12/h2-8,14H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 3498692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).