2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C20H24N2O4S2 — CID 2218483

IUPAC2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-26-14-15-27-19-7-3-2-6-18(19)20(23)21-16-8-10-17(11-9-16)28(24,25)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)
InChIKeyKULPPBKTKOVDCR-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.46
Rot. Bonds8

About 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2218483) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2218483
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S2/c1-26-14-15-27-19-7-3-2-6-18(19)20(23)21-16-8-10-17(11-9-16)28(24,25)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23)
InChIKeyKULPPBKTKOVDCR-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3158240
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-(2-methoxyethylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 25239822
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17122717
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
2-(2-methoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17355942
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355940
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2218483) is 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KULPPBKTKOVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-26-14-15-27-19-7-3-2-6-18(19)20(23)21-16-8-10-17(11-9-16)28(24,25)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3,(H,21,23).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2218483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).