N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine

C17H18N2O4S — CID 2387945

IUPACN-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
SMILESCCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-17-19-15-11-14(24(20,21)4-2)9-10-16(15)23-17/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyRTAHDXWBBOXUTR-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.76
Rot. Bonds6

About N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine

N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine (PubChem CID 2387945) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
PubChem CID2387945
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
SMILESCCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-17-19-15-11-14(24(20,21)4-2)9-10-16(15)23-17/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyRTAHDXWBBOXUTR-UHFFFAOYSA-N
XLogP3.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methylphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 25346032
N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
CID 57403512
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 57328464
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 2369682
5-ethylsulfonyl-N-[1-[(5-methoxy-1H-indol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 68695754
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
5-ethylsulfonyl-2-hexyl-1,3-benzoxazole
CID 68741368

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine (CID 2387945) is N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine is CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine?
The InChIKey is RTAHDXWBBOXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-17-19-15-11-14(24(20,21)4-2)9-10-16(15)23-17/h5-11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine?
N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine has a molecular weight of 346.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 2387945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).