5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide

C25H35N3O5S — CID 55679317

IUPAC5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1OC
InChIInChI=1S/C25H35N3O5S/c1-5-28(6-2)34(30,31)20-11-12-22(27-14-8-9-15-27)21(17-20)25(29)26-18-19-10-13-23(33-7-3)24(16-19)32-4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29)
InChIKeyKFXMRCZQUZEBRS-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.65
Rot. Bonds11

About 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide

5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 55679317) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID55679317
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC Name5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1OC
InChIInChI=1S/C25H35N3O5S/c1-5-28(6-2)34(30,31)20-11-12-22(27-14-8-9-15-27)21(17-20)25(29)26-18-19-10-13-23(33-7-3)24(16-19)32-4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29)
InChIKeyKFXMRCZQUZEBRS-UHFFFAOYSA-N
XLogP3.65
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405
5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 37424773
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide (CID 55679317) is 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide is CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)cc1OC.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is KFXMRCZQUZEBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-5-28(6-2)34(30,31)20-11-12-22(27-14-8-9-15-27)21(17-20)25(29)26-18-19-10-13-23(33-7-3)24(16-19)32-4/h10-13,16-17H,5-9,14-15,18H2,1-4H3,(H,26,29).
What are the key properties of 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide?
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 489.64 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).