N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C23H30N4O3S — CID 24982925

IUPACN-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCC1CCC(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-15-4-8-18(9-5-15)25-21(29)16-6-10-17(11-7-16)24-20(28)14-19-22(30)26-23(31-19)27-12-2-3-13-27/h6-7,10-11,15,18-19H,2-5,8-9,12-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyGMIZEIOEQOSENH-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.42
Rot. Bonds5

About N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 24982925) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID24982925
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCC1CCC(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1
InChIInChI=1S/C23H30N4O3S/c1-15-4-8-18(9-5-15)25-21(29)16-6-10-17(11-7-16)24-20(28)14-19-22(30)26-23(31-19)27-12-2-3-13-27/h6-7,10-11,15,18-19H,2-5,8-9,12-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyGMIZEIOEQOSENH-UHFFFAOYSA-N
XLogP3.42
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4844788
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
{4-[(5,5-Dioxido-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 22588447
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
4-Isobutyrylamino-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide
CID 653613
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2532351
N-(4-Acetyl-phenyl)-2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 2938655
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 2999861
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
N-(2-methylcyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3236071
N-(4-methylphenyl)-2-{[4-oxo-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 3243230

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 24982925) is N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CC1CCC(NC(=O)c2ccc(NC(=O)CC3SC(N4CCCC4)=NC3=O)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is GMIZEIOEQOSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-15-4-8-18(9-5-15)25-21(29)16-6-10-17(11-7-16)24-20(28)14-19-22(30)26-23(31-19)27-12-2-3-13-27/h6-7,10-11,15,18-19H,2-5,8-9,12-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 442.59 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 24982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).