N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C21H20N4O4S2 — CID 55664739

IUPACN-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)CCN1
InChIInChI=1S/C21H20N4O4S2/c26-19(12-17-14-30-21(24-17)15-5-2-1-3-6-15)23-16-7-4-8-18(11-16)31(28,29)25-10-9-22-20(27)13-25/h1-8,11,14H,9-10,12-13H2,(H,22,27)(H,23,26)
InChIKeyYVWMVIHEZSPDEZ-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.11
Rot. Bonds6

About N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 55664739) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID55664739
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC NameN-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C1CN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)CCN1
InChIInChI=1S/C21H20N4O4S2/c26-19(12-17-14-30-21(24-17)15-5-2-1-3-6-15)23-16-7-4-8-18(11-16)31(28,29)25-10-9-22-20(27)13-25/h1-8,11,14H,9-10,12-13H2,(H,22,27)(H,23,26)
InChIKeyYVWMVIHEZSPDEZ-UHFFFAOYSA-N
XLogP2.11
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 47029385
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
2-(2-methoxyethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]acetamide;hydrochloride
CID 119713498
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25436690
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 16560776

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 55664739) is N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C1CN(S(=O)(=O)c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)CCN1.
What is the InChIKey of N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YVWMVIHEZSPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c26-19(12-17-14-30-21(24-17)15-5-2-1-3-6-15)23-16-7-4-8-18(11-16)31(28,29)25-10-9-22-20(27)13-25/h1-8,11,14H,9-10,12-13H2,(H,22,27)(H,23,26).
What are the key properties of N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55664739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).