(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone

C18H19N3O5S — CID 112526781

IUPAC(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
SMILESCc1cc2cccc(N)c2n1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C18H19N3O5S/c1-12-11-13-3-2-4-14(19)17(13)21(12)18(22)15-5-6-16(26-15)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10,19H2,1H3
InChIKeyIUYLCUIISBLEHG-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.83
Rot. Bonds3

About (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone

(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone (PubChem CID 112526781) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
PubChem CID112526781
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
SMILESCc1cc2cccc(N)c2n1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C18H19N3O5S/c1-12-11-13-3-2-4-14(19)17(13)21(12)18(22)15-5-6-16(26-15)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10,19H2,1H3
InChIKeyIUYLCUIISBLEHG-UHFFFAOYSA-N
XLogP1.83
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide
CID 112526759
(4-aminobenzimidazol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone
CID 112523118
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide
CID 112526457
N-(1H-indol-7-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112526632
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
5-morpholin-4-ylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-7-yl)furan-2-carboxamide
CID 112522783
(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
CID 112526845
ethyl 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 46464437
4-amino-2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)isoindole-1,3-dione
CID 2119478
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787

Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone (CID 112526781) is (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone is Cc1cc2cccc(N)c2n1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
The InChIKey is IUYLCUIISBLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-12-11-13-3-2-4-14(19)17(13)21(12)18(22)15-5-6-16(26-15)27(23,24)20-7-9-25-10-8-20/h2-6,11H,7-10,19H2,1H3.
What are the key properties of (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone?
(7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone has a molecular weight of 389.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylindol-1-yl)-(5-morpholin-4-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 112526781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).