N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide

C20H24N4O4S — CID 167038984

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
SMILESCS(=O)c1nccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)n1
InChIInChI=1S/C20H24N4O4S/c1-20(2)12-13-10-15(16(11-17(13)28-20)24-6-8-27-9-7-24)22-18(25)14-4-5-21-19(23-14)29(3)26/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25)
InChIKeyDELZNUGHISMFAU-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.02
Rot. Bonds4

About N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide (PubChem CID 167038984) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
PubChem CID167038984
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
SMILESCS(=O)c1nccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)n1
InChIInChI=1S/C20H24N4O4S/c1-20(2)12-13-10-15(16(11-17(13)28-20)24-6-8-27-9-7-24)22-18(25)14-4-5-21-19(23-14)29(3)26/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25)
InChIKeyDELZNUGHISMFAU-UHFFFAOYSA-N
XLogP2.02
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
CID 142501178
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-[2-[2-[2-methyl-6-morpholin-4-yl-5-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3H-1-benzofuran-2-yl]ethyl]-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 142501204
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 142501256
6-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284274
(E)-3-amino-2-(5-cyanopyrimidin-2-yl)-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)prop-2-enamide
CID 129297594
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
N-[2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298333
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[(2S)-2-(2-hydroxy-2-methylpropyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284777

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide (CID 167038984) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide is CS(=O)c1nccc(C(=O)Nc2cc3c(cc2N2CCOCC2)OC(C)(C)C3)n1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide?
The InChIKey is DELZNUGHISMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-20(2)12-13-10-15(16(11-17(13)28-20)24-6-8-27-9-7-24)22-18(25)14-4-5-21-19(23-14)29(3)26/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide is sourced from PubChem (CID 167038984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).