(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide

C23H33N3O4S — CID 71193706

IUPAC(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
SMILESCCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H33N3O4S/c1-2-16-13-15-5-3-6-18(14-15)21(16)25-23(28)20-7-4-12-26(20)31(29,30)19-10-8-17(9-11-19)22(24)27/h8-11,15-16,18,20-21H,2-7,12-14H2,1H3,(H2,24,27)(H,25,28)/t15?,16?,18?,20-,21?/m1/s1
InChIKeyLKPOMVUBUFHKDO-DYGCNLOESA-N
MW447.60 g/mol
LogP2.66
Rot. Bonds6

About (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide

(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide (PubChem CID 71193706) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
PubChem CID71193706
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
SMILESCCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H33N3O4S/c1-2-16-13-15-5-3-6-18(14-15)21(16)25-23(28)20-7-4-12-26(20)31(29,30)19-10-8-17(9-11-19)22(24)27/h8-11,15-16,18,20-21H,2-7,12-14H2,1H3,(H2,24,27)(H,25,28)/t15?,16?,18?,20-,21?/m1/s1
InChIKeyLKPOMVUBUFHKDO-DYGCNLOESA-N
XLogP2.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3-cyanophenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide
CID 71193466
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]benzamide
CID 40882510
1-(4-fluorophenyl)sulfonyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrrolidine-2-carboxamide
CID 16730452
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 43062096
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
1-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 42946902
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
1-(4-carboxylatophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3622357
(2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 11934910
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655
3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 54574834
(2S)-N-(5-carbamoyl-2-adamantyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 53324718

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide (CID 71193706) is (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide is CCC1CC2CCCC(C2)C1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
The InChIKey is LKPOMVUBUFHKDO-DYGCNLOESA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-2-16-13-15-5-3-6-18(14-15)21(16)25-23(28)20-7-4-12-26(20)31(29,30)19-10-8-17(9-11-19)22(24)27/h8-11,15-16,18,20-21H,2-7,12-14H2,1H3,(H2,24,27)(H,25,28)/t15?,16?,18?,20-,21?/m1/s1.
What are the key properties of (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-carbamoylphenyl)sulfonyl-N-(3-ethyl-2-bicyclo[3.3.1]nonanyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71193706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).