5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

C22H27N3O3S2 — CID 20936312

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1
InChIInChI=1S/C22H27N3O3S2/c1-16-3-5-19(6-4-16)15-25-11-9-18(10-12-25)14-23-30(26,27)22-8-7-21(29-22)20-13-17(2)24-28-20/h3-8,13,18,23H,9-12,14-15H2,1-2H3
InChIKeyLDHFPEFQGVYDFZ-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.21
Rot. Bonds7

About 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide

5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 20936312) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
PubChem CID20936312
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1
InChIInChI=1S/C22H27N3O3S2/c1-16-3-5-19(6-4-16)15-25-11-9-18(10-12-25)14-23-30(26,27)22-8-7-21(29-22)20-13-17(2)24-28-20/h3-8,13,18,23H,9-12,14-15H2,1-2H3
InChIKeyLDHFPEFQGVYDFZ-UHFFFAOYSA-N
XLogP4.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide 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

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 20936132
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936314
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methylamino]-1,3-thiazole-5-sulfonamide
CID 133293266
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939854
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonic acid
CID 87522048
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide (CID 20936312) is 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is Cc1ccc(CN2CCC(CNS(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is LDHFPEFQGVYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-16-3-5-19(6-4-16)15-25-11-9-18(10-12-25)14-23-30(26,27)22-8-7-21(29-22)20-13-17(2)24-28-20/h3-8,13,18,23H,9-12,14-15H2,1-2H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide?
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 445.61 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20936312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).