N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide

C18H21N3O5S — CID 113053971

IUPACN-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)Cc1ccco1
InChIInChI=1S/C18H21N3O5S/c1-13(22)21(12-15-4-3-9-26-15)8-7-19-27(24,25)16-5-6-17-14(10-16)11-18(23)20(17)2/h3-6,9-10,19H,7-8,11-12H2,1-2H3
InChIKeyBMJAXKMKUCXHJS-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.13
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide

N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113053971) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
PubChem CID113053971
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)Cc1ccco1
InChIInChI=1S/C18H21N3O5S/c1-13(22)21(12-15-4-3-9-26-15)8-7-19-27(24,25)16-5-6-17-14(10-16)11-18(23)20(17)2/h3-6,9-10,19H,7-8,11-12H2,1-2H3
InChIKeyBMJAXKMKUCXHJS-UHFFFAOYSA-N
XLogP1.13
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
CID 113057038
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
N-[2-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide (CID 113053971) is N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is BMJAXKMKUCXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(22)21(12-15-4-3-9-26-15)8-7-19-27(24,25)16-5-6-17-14(10-16)11-18(23)20(17)2/h3-6,9-10,19H,7-8,11-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide?
N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).