N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C16H13N3O4S2 — CID 54531121

IUPACN-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCCN(c1nc2ccccc2o1)S(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C16H13N3O4S2/c1-2-19(16-17-11-5-3-4-6-13(11)23-16)25(20,21)15-8-7-14(24-15)12-9-10-22-18-12/h3-10H,2H2,1H3
InChIKeyYWPOCLXHZAZLPA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.76
Rot. Bonds5

About N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 54531121) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID54531121
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCCN(c1nc2ccccc2o1)S(=O)(=O)c1ccc(-c2ccon2)s1
InChIInChI=1S/C16H13N3O4S2/c1-2-19(16-17-11-5-3-4-6-13(11)23-16)25(20,21)15-8-7-14(24-15)12-9-10-22-18-12/h3-10H,2H2,1H3
InChIKeyYWPOCLXHZAZLPA-UHFFFAOYSA-N
XLogP3.76
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 54531121) is N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is CCN(c1nc2ccccc2o1)S(=O)(=O)c1ccc(-c2ccon2)s1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is YWPOCLXHZAZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-2-19(16-17-11-5-3-4-6-13(11)23-16)25(20,21)15-8-7-14(24-15)12-9-10-22-18-12/h3-10H,2H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-N-ethyl-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 54531121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).