N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide

C19H21N3O7S — CID 125025761

IUPACN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCOc1cccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C19H21N3O7S/c1-22(10-12(23)11-29-14-5-3-4-13(8-14)28-2)30(26,27)15-6-7-17-16(9-15)18(24)21-19(25)20-17/h3-9,12,23H,10-11H2,1-2H3,(H2,20,21,24,25)/t12-/m1/s1
InChIKeyZOWASZVJNVBRIL-GFCCVEGCSA-N
MW435.46 g/mol
LogP0.29
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 125025761) has the molecular formula C19H21N3O7S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID125025761
Molecular FormulaC19H21N3O7S
Molecular Weight435.46 g/mol
Exact Mass435.11
IUPAC NameN-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCOc1cccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1
InChIInChI=1S/C19H21N3O7S/c1-22(10-12(23)11-29-14-5-3-4-13(8-14)28-2)30(26,27)15-6-7-17-16(9-15)18(24)21-19(25)20-17/h3-9,12,23H,10-11H2,1-2H3,(H2,20,21,24,25)/t12-/m1/s1
InChIKeyZOWASZVJNVBRIL-GFCCVEGCSA-N
XLogP0.29
TPSA141.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methylsulfamate
CID 3706704
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
CID 124948706
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
CID 60609383
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
(3-methoxyphenyl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate
CID 71902122
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 125025761) is N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide is COc1cccc(OC[C@H](O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is ZOWASZVJNVBRIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O7S/c1-22(10-12(23)11-29-14-5-3-4-13(8-14)28-2)30(26,27)15-6-7-17-16(9-15)18(24)21-19(25)20-17/h3-9,12,23H,10-11H2,1-2H3,(H2,20,21,24,25)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 435.46 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-N-methyl-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 125025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).