2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide

C24H30N4O5S — CID 30633399

IUPAC2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C24H30N4O5S/c1-33-20-8-6-18(7-9-20)25-24(30)21-4-2-3-5-22(21)26-23(29)16-27-11-13-28(14-12-27)19-10-15-34(31,32)17-19/h2-9,19H,10-17H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyKNMVIFUCNWVXBG-LJQANCHMSA-N
MW486.59 g/mol
LogP1.69
Rot. Bonds7

About 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 30633399) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID30633399
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1
InChIInChI=1S/C24H30N4O5S/c1-33-20-8-6-18(7-9-20)25-24(30)21-4-2-3-5-22(21)26-23(29)16-27-11-13-28(14-12-27)19-10-15-34(31,32)17-19/h2-9,19H,10-17H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyKNMVIFUCNWVXBG-LJQANCHMSA-N
XLogP1.69
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide with MolForge

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Related Compounds

2-[4-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 31298051
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
methyl 2-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
CID 11837383
cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 9265622
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
ethyl 2-[[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]amino]benzoate
CID 113109673
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
N-(4-bromophenyl)-3-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]propanamide
CID 112840363
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 30633399) is 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1.
What is the InChIKey of 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is KNMVIFUCNWVXBG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-33-20-8-6-18(7-9-20)25-24(30)21-4-2-3-5-22(21)26-23(29)16-27-11-13-28(14-12-27)19-10-15-34(31,32)17-19/h2-9,19H,10-17H2,1H3,(H,25,30)(H,26,29)/t19-/m1/s1.
What are the key properties of 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 486.59 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 30633399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).