4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C20H27N3O4S — CID 53195440

IUPAC4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H27N3O4S/c1-14(2)12-16-6-8-17(9-7-16)28(25,26)21-13-18-22-19(15(3)27-18)20(24)23-10-4-5-11-23/h6-9,14,21H,4-5,10-13H2,1-3H3
InChIKeyUYURIBLSHMNTLT-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.90
Rot. Bonds7

About 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide

4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 53195440) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
PubChem CID53195440
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
SMILESCc1oc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H27N3O4S/c1-14(2)12-16-6-8-17(9-7-16)28(25,26)21-13-18-22-19(15(3)27-18)20(24)23-10-4-5-11-23/h6-9,14,21H,4-5,10-13H2,1-3H3
InChIKeyUYURIBLSHMNTLT-UHFFFAOYSA-N
XLogP2.90
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

1-[(5-Fluoro-2-methylphenyl)sulfonyl]-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 53168511
1-[(5-Fluoro-2-methylphenyl)sulfonyl]-4-[5-methyl-4-(piperidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine
CID 53168519
N,N,5-Trimethyl-2-{1-[4-(trifluoromethyl)benzenesulfonyl]piperidin-4-YL}-1,3-oxazole-4-carboxamide
CID 53168502
1-(2-Fluorobenzenesulfonyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 53168518
4-{2-[1-(2,5-Dimethylbenzenesulfonyl)piperidin-4-YL]-5-methyl-1,3-oxazole-4-carbonyl}morpholine
CID 71837492
1-(3,4-Difluorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837501
1-(2,5-Difluorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837502
1-(2-Fluorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837504
1-(3-Fluorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837507
1-(4-Fluoro-3-methylbenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837516
1-(4-Fluorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837518
2-[1-(3,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837527

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 53195440) is 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is Cc1oc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)nc1C(=O)N1CCCC1.
What is the InChIKey of 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is UYURIBLSHMNTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14(2)12-16-6-8-17(9-7-16)28(25,26)21-13-18-22-19(15(3)27-18)20(24)23-10-4-5-11-23/h6-9,14,21H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53195440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).