2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

C19H23N3O4S — CID 2111933

IUPAC2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccc(Nc2nc3cc(S(=O)(=O)N(CC)CC)ccc3o2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)27(23,24)16-11-12-18-17(13-16)21-19(26-18)20-14-7-9-15(10-8-14)25-6-3/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyVOATZYYJJQLIOR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.00
Rot. Bonds8

About 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 2111933) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide
PubChem CID2111933
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide
SMILESCCOc1ccc(Nc2nc3cc(S(=O)(=O)N(CC)CC)ccc3o2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-22(5-2)27(23,24)16-11-12-18-17(13-16)21-19(26-18)20-14-7-9-15(10-8-14)25-6-3/h7-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyVOATZYYJJQLIOR-UHFFFAOYSA-N
XLogP4.00
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide (CID 2111933) is 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide is CCOc1ccc(Nc2nc3cc(S(=O)(=O)N(CC)CC)ccc3o2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is VOATZYYJJQLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-22(5-2)27(23,24)16-11-12-18-17(13-16)21-19(26-18)20-14-7-9-15(10-8-14)25-6-3/h7-13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide?
2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N,N-diethyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 2111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).