N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide

C17H19N3O4S — CID 57403512

IUPACN-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
SMILESCCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-23-14-8-5-12(6-9-14)18-17-19-15-10-7-13(11-16(15)24-17)20-25(21,22)4-2/h5-11,20H,3-4H2,1-2H3,(H,18,19)
InChIKeySGPIURPAQSBJFB-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide

N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide (PubChem CID 57403512) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
PubChem CID57403512
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
SMILESCCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1
InChIInChI=1S/C17H19N3O4S/c1-3-23-14-8-5-12(6-9-14)18-17-19-15-10-7-13(11-16(15)24-17)20-25(21,22)4-2/h5-11,20H,3-4H2,1-2H3,(H,18,19)
InChIKeySGPIURPAQSBJFB-UHFFFAOYSA-N
XLogP3.73
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 2387945
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-quinolin-6-ylethanesulfonamide
CID 64584546
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
2-N-[4-(difluoromethoxy)phenyl]-1,3-benzoxazole-2,6-diamine
CID 79881963
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 55571488
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40607430

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide (CID 57403512) is N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide is CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide?
The InChIKey is SGPIURPAQSBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-23-14-8-5-12(6-9-14)18-17-19-15-10-7-13(11-16(15)24-17)20-25(21,22)4-2/h5-11,20H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide?
N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide is sourced from PubChem (CID 57403512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).