N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H23N5O4S — CID 122320596

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N5O4S/c1-22(2)17-15(12-19-18(20-17)23-6-9-26-10-7-23)21-28(24,25)14-3-4-16-13(11-14)5-8-27-16/h3-4,11-12,21H,5-10H2,1-2H3
InChIKeyJVNQXANMYYRRCQ-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.11
Rot. Bonds5

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 122320596) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID122320596
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N5O4S/c1-22(2)17-15(12-19-18(20-17)23-6-9-26-10-7-23)21-28(24,25)14-3-4-16-13(11-14)5-8-27-16/h3-4,11-12,21H,5-10H2,1-2H3
InChIKeyJVNQXANMYYRRCQ-UHFFFAOYSA-N
XLogP1.11
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122320602
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122320617
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
3-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-methylbenzenesulfonamide
CID 122320356
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 122320377
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-nitrobenzenesulfonamide
CID 122320379
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122320087
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 122320581
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320326
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 122320596) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is JVNQXANMYYRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-22(2)17-15(12-19-18(20-17)23-6-9-26-10-7-23)21-28(24,25)14-3-4-16-13(11-14)5-8-27-16/h3-4,11-12,21H,5-10H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 122320596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).