N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide

C22H19N3O4S — CID 11510027

IUPACN,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
InChIInChI=1S/C22H19N3O4S/c1-25(2)22(27)21(26)18-13-23-19-11-10-15(12-17(18)19)24-30(28,29)20-9-5-7-14-6-3-4-8-16(14)20/h3-13,23-24H,1-2H3
InChIKeyADFJMEPCVOWVDB-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.39
Rot. Bonds5

About N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide

N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide (PubChem CID 11510027) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
PubChem CID11510027
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12
InChIInChI=1S/C22H19N3O4S/c1-25(2)22(27)21(26)18-13-23-19-11-10-15(12-17(18)19)24-30(28,29)20-9-5-7-14-6-3-4-8-16(14)20/h3-13,23-24H,1-2H3
InChIKeyADFJMEPCVOWVDB-UHFFFAOYSA-N
XLogP3.39
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
CID 52920134
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N-phenylnaphthalene-1-sulfonamide
CID 3816137
methyl 3-[2-(dimethylamino)-2-oxoacetyl]-1H-indole-5-carboxylate
CID 121230644
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
dimethyl 5-(naphthalen-1-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 4685658
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10295665
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 11720304

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide?
The IUPAC name of N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide (CID 11510027) is N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide is CN(C)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide?
The InChIKey is ADFJMEPCVOWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-25(2)22(27)21(26)18-13-23-19-11-10-15(12-17(18)19)24-30(28,29)20-9-5-7-14-6-3-4-8-16(14)20/h3-13,23-24H,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide?
N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide has a molecular weight of 421.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 11510027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).