N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C26H33N3O4S — CID 55331292

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)N2CCOCC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-32-21-10-8-20(9-11-21)23(28-14-16-33-17-15-28)18-27-26(31)22-6-2-3-7-24(22)34-19-25(30)29-12-4-5-13-29/h2-3,6-11,23H,4-5,12-19H2,1H3,(H,27,31)
InChIKeyFFRDFMAUNLLUOM-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.21
Rot. Bonds9

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 55331292) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID55331292
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCOc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)N2CCOCC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-32-21-10-8-20(9-11-21)23(28-14-16-33-17-15-28)18-27-26(31)22-6-2-3-7-24(22)34-19-25(30)29-12-4-5-13-29/h2-3,6-11,23H,4-5,12-19H2,1H3,(H,27,31)
InChIKeyFFRDFMAUNLLUOM-UHFFFAOYSA-N
XLogP3.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55519541
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55328422
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467103
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467101
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17438662
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 55331292) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is COc1ccc(C(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is FFRDFMAUNLLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-32-21-10-8-20(9-11-21)23(28-14-16-33-17-15-28)18-27-26(31)22-6-2-3-7-24(22)34-19-25(30)29-12-4-5-13-29/h2-3,6-11,23H,4-5,12-19H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 483.63 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 55331292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).