4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide

C20H20N2O5S — CID 16579759

IUPAC4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O5S/c1-14-6-8-15(9-7-14)28(24,25)21-18-16-4-2-3-5-17(16)27-19(18)20(23)22-10-12-26-13-11-22/h2-9,21H,10-13H2,1H3
InChIKeyJVJNIWIPHAEEIN-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide

4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide (PubChem CID 16579759) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
PubChem CID16579759
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1
InChIInChI=1S/C20H20N2O5S/c1-14-6-8-15(9-7-14)28(24,25)21-18-16-4-2-3-5-17(16)27-19(18)20(23)22-10-12-26-13-11-22/h2-9,21H,10-13H2,1H3
InChIKeyJVJNIWIPHAEEIN-UHFFFAOYSA-N
XLogP3.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 24574556
4-ethyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 25419042
2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 24602773
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]oxolane-2-carboxamide
CID 95339435
[5-(azepan-1-ylsulfonyl)-3-methyl-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 3243719
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide (CID 16579759) is 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
The InChIKey is JVJNIWIPHAEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-14-6-8-15(9-7-14)28(24,25)21-18-16-4-2-3-5-17(16)27-19(18)20(23)22-10-12-26-13-11-22/h2-9,21H,10-13H2,1H3.
What are the key properties of 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide?
4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide is sourced from PubChem (CID 16579759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).