(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide

C15H21N3O4S — CID 56706520

IUPAC(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-3-17-14(19)13-8-11(16)9-18(13)15(20)10-4-6-12(7-5-10)23(2,21)22/h4-7,11,13H,3,8-9,16H2,1-2H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyGQWVRIAPZIJIJP-YPMHNXCESA-N
MW339.42 g/mol
LogP-0.23
Rot. Bonds4

About (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 56706520) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID56706520
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-3-17-14(19)13-8-11(16)9-18(13)15(20)10-4-6-12(7-5-10)23(2,21)22/h4-7,11,13H,3,8-9,16H2,1-2H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyGQWVRIAPZIJIJP-YPMHNXCESA-N
XLogP-0.23
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)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

(2S,4S)-4-amino-N-ethyl-1-[4-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56708997
(2S,4S)-4-amino-N-ethyl-1-(4-imidazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56719002
(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
CID 56721566
(2S,4S)-4-amino-N-ethyl-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 56722117
(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
CID 70729975
(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 56703341
(2S,4S)-4-amino-N-ethyl-1-(5-oxo-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 56706337
(2S,4S)-4-amino-N-methyl-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56720955
(2S,4R)-4-amino-N-ethyl-1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]benzoyl]pyrrolidine-2-carboxamide
CID 168742957
(2S,4R)-4-amino-1-[3-(3,4-dimethylphenyl)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 56716684
(2S,4R)-4-amino-N-ethyl-1-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 56701828
2-azabicyclo[2.2.1]heptan-2-yl-(4-methylsulfonylphenyl)methanone
CID 47318080

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide (CID 56706520) is (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is GQWVRIAPZIJIJP-YPMHNXCESA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-17-14(19)13-8-11(16)9-18(13)15(20)10-4-6-12(7-5-10)23(2,21)22/h4-7,11,13H,3,8-9,16H2,1-2H3,(H,17,19)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-ethyl-1-(4-methylsulfonylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56706520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).