N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide

C21H29N3O4S — CID 53195573

IUPACN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-5-17-6-8-18(9-7-17)29(26,27)22-14-19-23-20(16(3)28-19)21(25)24-12-10-15(2)11-13-24/h6-9,15,22H,4-5,10-14H2,1-3H3
InChIKeyGGKHNFWAMSYLSX-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.29
Rot. Bonds7

About N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide

N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide (PubChem CID 53195573) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide
PubChem CID53195573
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-5-17-6-8-18(9-7-17)29(26,27)22-14-19-23-20(16(3)28-19)21(25)24-12-10-15(2)11-13-24/h6-9,15,22H,4-5,10-14H2,1-3H3
InChIKeyGGKHNFWAMSYLSX-UHFFFAOYSA-N
XLogP3.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide (CID 53195573) is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2nc(C(=O)N3CCC(C)CC3)c(C)o2)cc1.
What is the InChIKey of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide?
The InChIKey is GGKHNFWAMSYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-4-5-17-6-8-18(9-7-17)29(26,27)22-14-19-23-20(16(3)28-19)21(25)24-12-10-15(2)11-13-24/h6-9,15,22H,4-5,10-14H2,1-3H3.
What are the key properties of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide?
N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 53195573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).