N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C18H21N5O4S — CID 126853951

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCN(C)c1ncc2c(n1)CCC(NS(=O)(=O)c1ccc3oc(=O)n(C)c3c1)C2
InChIInChI=1S/C18H21N5O4S/c1-22(2)17-19-10-11-8-12(4-6-14(11)20-17)21-28(25,26)13-5-7-16-15(9-13)23(3)18(24)27-16/h5,7,9-10,12,21H,4,6,8H2,1-3H3
InChIKeyNSZJWFVRYDCKBZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 126853951) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID126853951
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCN(C)c1ncc2c(n1)CCC(NS(=O)(=O)c1ccc3oc(=O)n(C)c3c1)C2
InChIInChI=1S/C18H21N5O4S/c1-22(2)17-19-10-11-8-12(4-6-14(11)20-17)21-28(25,26)13-5-7-16-15(9-13)23(3)18(24)27-16/h5,7,9-10,12,21H,4,6,8H2,1-3H3
InChIKeyNSZJWFVRYDCKBZ-UHFFFAOYSA-N
XLogP0.82
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
CID 121144936
3-methyl-2-oxo-N-(2-oxothiolan-3-yl)-1,3-benzoxazole-5-sulfonamide
CID 5312165
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide
CID 68677729
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122572680
N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 90619279
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
CID 126853925
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126853934

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 126853951) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is CN(C)c1ncc2c(n1)CCC(NS(=O)(=O)c1ccc3oc(=O)n(C)c3c1)C2.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is NSZJWFVRYDCKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-22(2)17-19-10-11-8-12(4-6-14(11)20-17)21-28(25,26)13-5-7-16-15(9-13)23(3)18(24)27-16/h5,7,9-10,12,21H,4,6,8H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 126853951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).