N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide

C15H23N3O4S — CID 119797775

IUPACN-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-14-6-5-12(23(20,21)18(2)3)9-13(14)17-15(19)11-7-8-16-10-11/h5-6,9,11,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyCCQMSPUKBCSIPE-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.88
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide (PubChem CID 119797775) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
PubChem CID119797775
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H23N3O4S/c1-4-22-14-6-5-12(23(20,21)18(2)3)9-13(14)17-15(19)11-7-8-16-10-11/h5-6,9,11,16H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyCCQMSPUKBCSIPE-UHFFFAOYSA-N
XLogP0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 119268085
N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119342431
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]pyrrolidine-3-carboxamide
CID 119692557

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide (CID 119797775) is N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide?
The InChIKey is CCQMSPUKBCSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-4-22-14-6-5-12(23(20,21)18(2)3)9-13(14)17-15(19)11-7-8-16-10-11/h5-6,9,11,16H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119797775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).