furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium

C19H26N3O5S+ — CID 9333436

IUPACfuran-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C19H25N3O5S/c1-15-5-6-17(28(24,25)22-7-10-26-11-8-22)12-18(15)20-19(23)14-21(2)13-16-4-3-9-27-16/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,20,23)/p+1
InChIKeyDQVCTHVAQFHATK-UHFFFAOYSA-O
MW408.50 g/mol
LogP0.26
Rot. Bonds7

About furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium

furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium (PubChem CID 9333436) has the molecular formula C19H26N3O5S+ and a molecular weight of 408.50 g/mol. Its IUPAC name is furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
PubChem CID9333436
Molecular FormulaC19H26N3O5S+
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Namefuran-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C19H25N3O5S/c1-15-5-6-17(28(24,25)22-7-10-26-11-8-22)12-18(15)20-19(23)14-21(2)13-16-4-3-9-27-16/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,20,23)/p+1
InChIKeyDQVCTHVAQFHATK-UHFFFAOYSA-O
XLogP0.26
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26524387
3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 31494184
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
2-(2-methylindol-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414866
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The IUPAC name of furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium (CID 9333436) is furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+](C)Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
The InChIKey is DQVCTHVAQFHATK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O5S/c1-15-5-6-17(28(24,25)22-7-10-26-11-8-22)12-18(15)20-19(23)14-21(2)13-16-4-3-9-27-16/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,20,23)/p+1.
What are the key properties of furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium?
furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium has a molecular weight of 408.50 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9333436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).