(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid

C16H16N2O5S2 — CID 119370582

IUPAC(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2O5S2/c19-15(18-8-2-6-13(18)16(20)21)11-4-1-5-12(10-11)17-25(22,23)14-7-3-9-24-14/h1,3-5,7,9-10,13,17H,2,6,8H2,(H,20,21)/t13-/m1/s1
InChIKeyAMSUHGFJXFDCID-CYBMUJFWSA-N
MW380.45 g/mol
LogP2.24
Rot. Bonds5

About (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370582) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119370582
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2O5S2/c19-15(18-8-2-6-13(18)16(20)21)11-4-1-5-12(10-11)17-25(22,23)14-7-3-9-24-14/h1,3-5,7,9-10,13,17H,2,6,8H2,(H,20,21)/t13-/m1/s1
InChIKeyAMSUHGFJXFDCID-CYBMUJFWSA-N
XLogP2.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid 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

N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120814349
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
N-[4-[[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 25340618
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55924296
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid (CID 119370582) is (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AMSUHGFJXFDCID-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c19-15(18-8-2-6-13(18)16(20)21)11-4-1-5-12(10-11)17-25(22,23)14-7-3-9-24-14/h1,3-5,7,9-10,13,17H,2,6,8H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).