N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide

C18H20N2O3S2 — CID 53057366

IUPACN-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1noc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C18H20N2O3S2/c1-11-12(2)20-23-17(11)16-13(3)24-14(4)18(16)25(21,22)19-10-15-8-6-5-7-9-15/h5-9,19H,10H2,1-4H3
InChIKeyWEPWXIRUMWUUDP-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide

N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 53057366) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID53057366
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1noc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C18H20N2O3S2/c1-11-12(2)20-23-17(11)16-13(3)24-14(4)18(16)25(21,22)19-10-15-8-6-5-7-9-15/h5-9,19H,10H2,1-4H3
InChIKeyWEPWXIRUMWUUDP-UHFFFAOYSA-N
XLogP4.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 53057366) is N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is WEPWXIRUMWUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-11-12(2)20-23-17(11)16-13(3)24-14(4)18(16)25(21,22)19-10-15-8-6-5-7-9-15/h5-9,19H,10H2,1-4H3.
What are the key properties of N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 53057366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).