3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C17H21N3O5S — CID 74242575

IUPAC3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccon2)c1
InChIInChI=1S/C17H21N3O5S/c1-24-12-15-5-3-8-20(15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m0/s1
InChIKeyQMGQDLPNHWHJIB-HNNXBMFYSA-N
MW379.44 g/mol
LogP1.40
Rot. Bonds7

About 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 74242575) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID74242575
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccon2)c1
InChIInChI=1S/C17H21N3O5S/c1-24-12-15-5-3-8-20(15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m0/s1
InChIKeyQMGQDLPNHWHJIB-HNNXBMFYSA-N
XLogP1.40
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide 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

3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 99951403
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
CID 119632832
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 97192562
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109064909
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(2S)-1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365208
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55924570
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 74242575) is 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is COC[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NCc2ccon2)c1.
What is the InChIKey of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is QMGQDLPNHWHJIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-12-15-5-3-8-20(15)17(21)13-4-2-6-16(10-13)26(22,23)18-11-14-7-9-25-19-14/h2,4,6-7,9-10,15,18H,3,5,8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 74242575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).