N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide

C15H13N3O3S3 — CID 89427796

IUPACN-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)s2)cc1
InChIInChI=1S/C15H13N3O3S3/c1-24(20,21)18-10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)17-15(22)16-12/h2-8,18H,1H3,(H2,16,17,19,22)/b12-8-
InChIKeySLYQFCKASSQNQF-WQLSENKSSA-N
MW379.49 g/mol
LogP2.13
Rot. Bonds4

About N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide

N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide (PubChem CID 89427796) has the molecular formula C15H13N3O3S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide
PubChem CID89427796
Molecular FormulaC15H13N3O3S3
Molecular Weight379.49 g/mol
Exact Mass379.01
IUPAC NameN-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)s2)cc1
InChIInChI=1S/C15H13N3O3S3/c1-24(20,21)18-10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)17-15(22)16-12/h2-8,18H,1H3,(H2,16,17,19,22)/b12-8-
InChIKeySLYQFCKASSQNQF-WQLSENKSSA-N
XLogP2.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide
CID 53261715
(5E)-5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53261710
5-[[5-(4-Methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 75995601
N-[4-[5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide
CID 75995606
(5Z)-5-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 87327407
3-(4-Methylphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 839162
(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 1803260
3-(4-Methylphenyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5411596
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 8426948
(5E)-3-(4-propan-2-ylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 8426956
(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 8426958
(5E)-3-(4-methylphenyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
CID 9341911

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide (CID 89427796) is N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)s2)cc1.
What is the InChIKey of N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide?
The InChIKey is SLYQFCKASSQNQF-WQLSENKSSA-N. The full InChI is InChI=1S/C15H13N3O3S3/c1-24(20,21)18-10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)17-15(22)16-12/h2-8,18H,1H3,(H2,16,17,19,22)/b12-8-.
What are the key properties of N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide?
N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide has a molecular weight of 379.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 89427796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).