N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide

C19H21N3O4S — CID 23501278

IUPACN-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
SMILESCNCCOc1cccc2c1ccn2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(23)21-15-6-8-16(9-7-15)27(24,25)22-12-10-17-18(22)4-3-5-19(17)26-13-11-20-2/h3-10,12,20H,11,13H2,1-2H3,(H,21,23)
InChIKeyDQPMKGMJKFPFTI-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.43
Rot. Bonds7

About N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide (PubChem CID 23501278) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
PubChem CID23501278
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
SMILESCNCCOc1cccc2c1ccn2S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(23)21-15-6-8-16(9-7-15)27(24,25)22-12-10-17-18(22)4-3-5-19(17)26-13-11-20-2/h3-10,12,20H,11,13H2,1-2H3,(H,21,23)
InChIKeyDQPMKGMJKFPFTI-UHFFFAOYSA-N
XLogP2.43
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
CID 11725119
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463
N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
CID 142694484
2-[1-(5-chlorothiophen-2-yl)sulfonylindol-4-yl]oxy-N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 23501229
N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 117074121
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide (CID 23501278) is N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide is CNCCOc1cccc2c1ccn2S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DQPMKGMJKFPFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14(23)21-15-6-8-16(9-7-15)27(24,25)22-12-10-17-18(22)4-3-5-19(17)26-13-11-20-2/h3-10,12,20H,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 23501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).