N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C20H25N5O4S2 — CID 55726516

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc2)CC1
InChIInChI=1S/C20H25N5O4S2/c1-14-6-9-24(10-7-14)31(28,29)17-4-2-15(3-5-17)22-18(26)12-16-13-30-20(23-16)25-11-8-21-19(25)27/h2-5,13-14H,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFVYNZQACXHYRJS-UHFFFAOYSA-N
MW463.59 g/mol
LogP2.27
Rot. Bonds6

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

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55726516) has the molecular formula C20H25N5O4S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55726516
Molecular FormulaC20H25N5O4S2
Molecular Weight463.59 g/mol
Exact Mass463.13
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc2)CC1
InChIInChI=1S/C20H25N5O4S2/c1-14-6-9-24(10-7-14)31(28,29)17-4-2-15(3-5-17)22-18(26)12-16-13-30-20(23-16)25-11-8-21-19(25)27/h2-5,13-14H,6-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyFVYNZQACXHYRJS-UHFFFAOYSA-N
XLogP2.27
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylsulfonylphenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55775962
4-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55887416
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55947054
N-(3,5-dichlorophenyl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729636
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55729727
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718596
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55718893
N-[2-fluoro-5-[[2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]cyclohexanecarboxamide
CID 55722966
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43055200
N-(3-methylbutan-2-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 42961693
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55726799

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55726516) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3csc(N4CCNC4=O)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FVYNZQACXHYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S2/c1-14-6-9-24(10-7-14)31(28,29)17-4-2-15(3-5-17)22-18(26)12-16-13-30-20(23-16)25-11-8-21-19(25)27/h2-5,13-14H,6-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 463.59 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55726516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).