5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide

C21H25N3O3S2 — CID 53103180

IUPAC5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1
InChIInChI=1S/C21H25N3O3S2/c1-24(2)17-9-7-15(8-10-17)13-23-29(25,26)20-12-11-19(28-20)18-14-22-21(27-18)16-5-3-4-6-16/h7-12,14,16,23H,3-6,13H2,1-2H3
InChIKeyUOVLHJLZCNOFGQ-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.61
Rot. Bonds7

About 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide

5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 53103180) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID53103180
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1
InChIInChI=1S/C21H25N3O3S2/c1-24(2)17-9-7-15(8-10-17)13-23-29(25,26)20-12-11-19(28-20)18-14-22-21(27-18)16-5-3-4-6-16/h7-12,14,16,23H,3-6,13H2,1-2H3
InChIKeyUOVLHJLZCNOFGQ-UHFFFAOYSA-N
XLogP4.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide (CID 53103180) is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide is CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1.
What is the InChIKey of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is UOVLHJLZCNOFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-24(2)17-9-7-15(8-10-17)13-23-29(25,26)20-12-11-19(28-20)18-14-22-21(27-18)16-5-3-4-6-16/h7-12,14,16,23H,3-6,13H2,1-2H3.
What are the key properties of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide?
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 431.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).