N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C18H27N3O5S2 — CID 43062096

IUPACN-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-3-20(4-2)27(23,24)15-9-11-16(12-10-15)28(25,26)21-13-5-6-17(21)18(22)19-14-7-8-14/h9-12,14,17H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyWCXSFVACNAYKTG-UHFFFAOYSA-N
MW429.56 g/mol
LogP1.15
Rot. Bonds8

About N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide

N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 43062096) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID43062096
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC NameN-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-3-20(4-2)27(23,24)15-9-11-16(12-10-15)28(25,26)21-13-5-6-17(21)18(22)19-14-7-8-14/h9-12,14,17H,3-8,13H2,1-2H3,(H,19,22)
InChIKeyWCXSFVACNAYKTG-UHFFFAOYSA-N
XLogP1.15
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxycyclohexyl)piperidine-3-carboxamide
CID 162365381
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24615851
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 162365284
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 120782397

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 43062096) is N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WCXSFVACNAYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-3-20(4-2)27(23,24)15-9-11-16(12-10-15)28(25,26)21-13-5-6-17(21)18(22)19-14-7-8-14/h9-12,14,17H,3-8,13H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43062096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).