5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide

C24H33N3O4S — CID 55964117

IUPAC5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)c1
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)21-12-13-23(26-14-7-8-15-26)22(17-21)24(28)25-18-19-10-9-11-20(16-19)31-6-3/h9-13,16-17H,4-8,14-15,18H2,1-3H3,(H,25,28)
InChIKeyUGXNRHITBQAVHF-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.65
Rot. Bonds10

About 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide

5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 55964117) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID55964117
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)c1
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)21-12-13-23(26-14-7-8-15-26)22(17-21)24(28)25-18-19-10-9-11-20(16-19)31-6-3/h9-13,16-17H,4-8,14-15,18H2,1-3H3,(H,25,28)
InChIKeyUGXNRHITBQAVHF-UHFFFAOYSA-N
XLogP3.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
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CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 37424773
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55971669
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55993412
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 55332364

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide (CID 55964117) is 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide is CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is UGXNRHITBQAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)21-12-13-23(26-14-7-8-15-26)22(17-21)24(28)25-18-19-10-9-11-20(16-19)31-6-3/h9-13,16-17H,4-8,14-15,18H2,1-3H3,(H,25,28).
What are the key properties of 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 459.61 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55964117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).