4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C19H22N2O5S — CID 110650367

IUPAC4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)cc21
InChIInChI=1S/C19H22N2O5S/c1-13(2)26-16-6-4-15(5-7-16)20-27(23,24)17-8-9-19-18(12-17)21(14(3)22)10-11-25-19/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyWNZRTRVAAKTIKB-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.02
Rot. Bonds5

About 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 110650367) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID110650367
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)cc21
InChIInChI=1S/C19H22N2O5S/c1-13(2)26-16-6-4-15(5-7-16)20-27(23,24)17-8-9-19-18(12-17)21(14(3)22)10-11-25-19/h4-9,12-13,20H,10-11H2,1-3H3
InChIKeyWNZRTRVAAKTIKB-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519416
4-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519354
N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 110650548
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
4-acetyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519367
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
CID 25219434
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
4-acetyl-N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519411
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
CID 110639956
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-ethylthiophene-2-sulfonamide
CID 110412812

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 110650367) is 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CC(=O)N1CCOc2ccc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)cc21.
What is the InChIKey of 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WNZRTRVAAKTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(2)26-16-6-4-15(5-7-16)20-27(23,24)17-8-9-19-18(12-17)21(14(3)22)10-11-25-19/h4-9,12-13,20H,10-11H2,1-3H3.
What are the key properties of 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 390.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110650367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).