2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide

C26H34N2O3S — CID 55892354

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C26H34N2O3S/c1-19(2)31-22-14-12-21(13-15-22)11-10-20(3)27-26(30)23-8-4-5-9-24(23)32-18-25(29)28-16-6-7-17-28/h4-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-3H3,(H,27,30)
InChIKeyYAQJKZAITNQPCH-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.94
Rot. Bonds10

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide (PubChem CID 55892354) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
PubChem CID55892354
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C26H34N2O3S/c1-19(2)31-22-14-12-21(13-15-22)11-10-20(3)27-26(30)23-8-4-5-9-24(23)32-18-25(29)28-16-6-7-17-28/h4-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-3H3,(H,27,30)
InChIKeyYAQJKZAITNQPCH-UHFFFAOYSA-N
XLogP4.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
CID 119244244
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 60533563
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
CID 4795071
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 97223647
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987
2-(2-methoxyethylsulfanyl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2218475

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide (CID 55892354) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The InChIKey is YAQJKZAITNQPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-19(2)31-22-14-12-21(13-15-22)11-10-20(3)27-26(30)23-8-4-5-9-24(23)32-18-25(29)28-16-6-7-17-28/h4-5,8-9,12-15,19-20H,6-7,10-11,16-18H2,1-3H3,(H,27,30).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide has a molecular weight of 454.64 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide is sourced from PubChem (CID 55892354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).