N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide

C18H19N3O5S — CID 110650548

IUPACN-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1
InChIInChI=1S/C18H19N3O5S/c1-12(22)19-14-4-3-5-15(10-14)20-27(24,25)16-6-7-18-17(11-16)21(13(2)23)8-9-26-18/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,22)
InChIKeyWVQWONAIUZWUIE-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.19
Rot. Bonds4

About N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide

N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 110650548) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID110650548
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1
InChIInChI=1S/C18H19N3O5S/c1-12(22)19-14-4-3-5-15(10-14)20-27(24,25)16-6-7-18-17(11-16)21(13(2)23)8-9-26-18/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,22)
InChIKeyWVQWONAIUZWUIE-UHFFFAOYSA-N
XLogP2.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide with MolForge

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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
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
4-acetyl-N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519411
4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110650367
4-acetyl-N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519383
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
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
CID 110639956
4-acetyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519424
1-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 110647609

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide (CID 110650548) is N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1.
What is the InChIKey of N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is WVQWONAIUZWUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12(22)19-14-4-3-5-15(10-14)20-27(24,25)16-6-7-18-17(11-16)21(13(2)23)8-9-26-18/h3-7,10-11,20H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide?
N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 110650548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).