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

C20H24N2O4S — CID 4947884

IUPAC2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-15-26-19-8-4-3-7-18(19)20(23)21-16-9-11-17(12-10-16)27(24,25)22-13-5-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyZPTICASODZXYLI-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds7

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

2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4947884) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID4947884
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-15-26-19-8-4-3-7-18(19)20(23)21-16-9-11-17(12-10-16)27(24,25)22-13-5-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyZPTICASODZXYLI-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17122717
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
2-(2-methoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17355942
2-(2-ethoxyethoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 17122736
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355940
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
2-(2-phenoxyethoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4954618
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-ethoxyethoxy)benzamide
CID 17122780
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 4947884) is 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is ZPTICASODZXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-15-26-19-8-4-3-7-18(19)20(23)21-16-9-11-17(12-10-16)27(24,25)22-13-5-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4947884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).