N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C20H18N4O4S — CID 55481212

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CC2Sc3ccccc3NC2=O)C1=O
InChIInChI=1S/C20H18N4O4S/c1-20(12-7-3-2-4-8-12)18(27)24(19(28)22-20)23-16(25)11-15-17(26)21-13-9-5-6-10-14(13)29-15/h2-10,15H,11H2,1H3,(H,21,26)(H,22,28)(H,23,25)
InChIKeyOLLNMBWTFPNSFJ-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.99
Rot. Bonds4

About N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55481212) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55481212
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)CC2Sc3ccccc3NC2=O)C1=O
InChIInChI=1S/C20H18N4O4S/c1-20(12-7-3-2-4-8-12)18(27)24(19(28)22-20)23-16(25)11-15-17(26)21-13-9-5-6-10-14(13)29-15/h2-10,15H,11H2,1H3,(H,21,26)(H,22,28)(H,23,25)
InChIKeyOLLNMBWTFPNSFJ-UHFFFAOYSA-N
XLogP1.99
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
(2R)-3-methyl-2-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]butanoic acid
CID 125148931
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
N-(1-methylpyrazol-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 51537804
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55481212) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CC1(c2ccccc2)NC(=O)N(NC(=O)CC2Sc3ccccc3NC2=O)C1=O.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is OLLNMBWTFPNSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-20(12-7-3-2-4-8-12)18(27)24(19(28)22-20)23-16(25)11-15-17(26)21-13-9-5-6-10-14(13)29-15/h2-10,15H,11H2,1H3,(H,21,26)(H,22,28)(H,23,25).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 410.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55481212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).