2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide

C17H21N3O4S2 — CID 121150404

IUPAC2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(Oc3nccs3)C2)c1
InChIInChI=1S/C17H21N3O4S2/c1-12-3-4-13(2)15(9-12)26(22,23)19-10-16(21)20-7-5-14(11-20)24-17-18-6-8-25-17/h3-4,6,8-9,14,19H,5,7,10-11H2,1-2H3
InChIKeyJDBJBLPQQXVBFX-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.72
Rot. Bonds6

About 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 121150404) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide
PubChem CID121150404
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(Oc3nccs3)C2)c1
InChIInChI=1S/C17H21N3O4S2/c1-12-3-4-13(2)15(9-12)26(22,23)19-10-16(21)20-7-5-14(11-20)24-17-18-6-8-25-17/h3-4,6,8-9,14,19H,5,7,10-11H2,1-2H3
InChIKeyJDBJBLPQQXVBFX-UHFFFAOYSA-N
XLogP1.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90628600
2-(4-methylphenoxy)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150572
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 86915821
(3,4-dimethylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150554
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150397
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2,5-dimethyl-N-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 91814561
2-pyrimidin-2-ylsulfanyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150581
N-[2-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 90589626
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide (CID 121150404) is 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(Oc3nccs3)C2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is JDBJBLPQQXVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12-3-4-13(2)15(9-12)26(22,23)19-10-16(21)20-7-5-14(11-20)24-17-18-6-8-25-17/h3-4,6,8-9,14,19H,5,7,10-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 121150404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).