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

C18H27N3O4S — CID 113057038

IUPACN-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
SMILESCCCCCN(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(C)=O
InChIInChI=1S/C18H27N3O4S/c1-4-5-6-10-21(14(2)22)11-9-19-26(24,25)16-7-8-17-15(12-16)13-18(23)20(17)3/h7-8,12,19H,4-6,9-11,13H2,1-3H3
InChIKeyMBLPKYPCYIWJNE-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.52
Rot. Bonds9

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

N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide (PubChem CID 113057038) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
PubChem CID113057038
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide
SMILESCCCCCN(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(C)=O
InChIInChI=1S/C18H27N3O4S/c1-4-5-6-10-21(14(2)22)11-9-19-26(24,25)16-7-8-17-15(12-16)13-18(23)20(17)3/h7-8,12,19H,4-6,9-11,13H2,1-3H3
InChIKeyMBLPKYPCYIWJNE-UHFFFAOYSA-N
XLogP1.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
CID 113053971
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
CID 113044741
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
N-[4-(4-chlorophenyl)butyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110357512
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide?
The IUPAC name of N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide (CID 113057038) is N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide.
What is the SMILES notation for N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide?
The canonical SMILES for N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide is CCCCCN(CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)C(C)=O.
What is the InChIKey of N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide?
The InChIKey is MBLPKYPCYIWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-4-5-6-10-21(14(2)22)11-9-19-26(24,25)16-7-8-17-15(12-16)13-18(23)20(17)3/h7-8,12,19H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide?
N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide has a molecular weight of 381.50 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]-N-pentylacetamide is sourced from PubChem (CID 113057038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).