N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C16H16N2O3S2 — CID 53079329

IUPACN-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NCc3ccccc3)c(C)s2)on1
InChIInChI=1S/C16H16N2O3S2/c1-11-8-14(21-18-11)15-9-16(12(2)22-15)23(19,20)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3
InChIKeyYEMUTIWDJUFPQO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.50
Rot. Bonds5

About N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079329) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079329
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)NCc3ccccc3)c(C)s2)on1
InChIInChI=1S/C16H16N2O3S2/c1-11-8-14(21-18-11)15-9-16(12(2)22-15)23(19,20)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3
InChIKeyYEMUTIWDJUFPQO-UHFFFAOYSA-N
XLogP3.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079329) is N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)NCc3ccccc3)c(C)s2)on1.
What is the InChIKey of N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is YEMUTIWDJUFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-8-14(21-18-11)15-9-16(12(2)22-15)23(19,20)17-10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).