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

C18H23N3O5S — CID 97192562

IUPAC3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCOC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)C1
InChIInChI=1S/C18H23N3O5S/c1-20(12-16-7-9-26-19-16)27(23,24)17-5-3-4-15(10-17)18(22)21-8-6-14(11-21)13-25-2/h3-5,7,9-10,14H,6,8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyILJUSWZTXNKCDJ-CQSZACIVSA-N
MW393.47 g/mol
LogP1.60
Rot. Bonds7

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

3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 97192562) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID97192562
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCOC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)C1
InChIInChI=1S/C18H23N3O5S/c1-20(12-16-7-9-26-19-16)27(23,24)17-5-3-4-15(10-17)18(22)21-8-6-14(11-21)13-25-2/h3-5,7,9-10,14H,6,8,11-13H2,1-2H3/t14-/m1/s1
InChIKeyILJUSWZTXNKCDJ-CQSZACIVSA-N
XLogP1.60
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 77083145
[3-(azetidin-1-ylsulfonyl)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 72920384
3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 99951403
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 74242575
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
azetidin-1-yl-[3-[(3R)-3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanone
CID 99938997
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 97192562) is 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is COC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)C1.
What is the InChIKey of 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is ILJUSWZTXNKCDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-20(12-16-7-9-26-19-16)27(23,24)17-5-3-4-15(10-17)18(22)21-8-6-14(11-21)13-25-2/h3-5,7,9-10,14H,6,8,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 97192562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).