N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

C24H33N3O4S — CID 51135581

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCCOc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)22-18-20(14-15-21(22)31-6-3)25-24(28)23(26-16-10-11-17-26)19-12-8-7-9-13-19/h7-9,12-15,18,23H,4-6,10-11,16-17H2,1-3H3,(H,25,28)
InChIKeyQNHSRTOMEXAMJF-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.89
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 51135581) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID51135581
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESCCOc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)22-18-20(14-15-21(22)31-6-3)25-24(28)23(26-16-10-11-17-26)19-12-8-7-9-13-19/h7-9,12-15,18,23H,4-6,10-11,16-17H2,1-3H3,(H,25,28)
InChIKeyQNHSRTOMEXAMJF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 51135581) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is CCOc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is QNHSRTOMEXAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-4-27(5-2)32(29,30)22-18-20(14-15-21(22)31-6-3)25-24(28)23(26-16-10-11-17-26)19-12-8-7-9-13-19/h7-9,12-15,18,23H,4-6,10-11,16-17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 459.61 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 51135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).