N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide

C19H21N3O5S — CID 30713736

IUPACN,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C19H21N3O5S/c1-4-22(5-2)18(23)13-7-6-8-14(11-13)20-28(25,26)15-9-10-16-17(12-15)27-19(24)21(16)3/h6-12,20H,4-5H2,1-3H3
InChIKeyKPYQZYQBWHSSNW-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.41
Rot. Bonds6

About N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide

N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide (PubChem CID 30713736) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
PubChem CID30713736
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C19H21N3O5S/c1-4-22(5-2)18(23)13-7-6-8-14(11-13)20-28(25,26)15-9-10-16-17(12-15)27-19(24)21(16)3/h6-12,20H,4-5H2,1-3H3
InChIKeyKPYQZYQBWHSSNW-UHFFFAOYSA-N
XLogP2.41
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-(3-ethynylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31397830
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide (CID 30713736) is N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide is CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
The InChIKey is KPYQZYQBWHSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-4-22(5-2)18(23)13-7-6-8-14(11-13)20-28(25,26)15-9-10-16-17(12-15)27-19(24)21(16)3/h6-12,20H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide?
N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide has a molecular weight of 403.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 30713736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).