N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

C19H21N3O4S — CID 133355540

IUPACN-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H21N3O4S/c1-21(14-16-12-15-4-2-3-5-18(15)26-16)19-7-6-17(13-20-19)27(23,24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyJDCWANMUEYHNII-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.49
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 133355540) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID133355540
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C19H21N3O4S/c1-21(14-16-12-15-4-2-3-5-18(15)26-16)19-7-6-17(13-20-19)27(23,24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyJDCWANMUEYHNII-UHFFFAOYSA-N
XLogP2.49
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55829731
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 24508348
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
ethyl 6-[1-benzofuran-2-ylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133355595
N,N-bis(2-methoxyethyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55346673
N-(1-benzofuran-2-ylmethyl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 133355569
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17426488
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 133355540) is N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is CN(Cc1cc2ccccc2o1)c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is JDCWANMUEYHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-21(14-16-12-15-4-2-3-5-18(15)26-16)19-7-6-17(13-20-19)27(23,24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 387.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133355540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).