N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide

C19H21N3O4S — CID 4541371

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(24,25)14-8-9-18(26-3)17(11-14)21-19(23)10-13-12-20-16-7-5-4-6-15(13)16/h4-9,11-12,20H,10H2,1-3H3,(H,21,23)
InChIKeyWFGUIPHVIZWBTP-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.61
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 4541371) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID4541371
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(24,25)14-8-9-18(26-3)17(11-14)21-19(23)10-13-12-20-16-7-5-4-6-15(13)16/h4-9,11-12,20H,10H2,1-3H3,(H,21,23)
InChIKeyWFGUIPHVIZWBTP-UHFFFAOYSA-N
XLogP2.61
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide (CID 4541371) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is WFGUIPHVIZWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)27(24,25)14-8-9-18(26-3)17(11-14)21-19(23)10-13-12-20-16-7-5-4-6-15(13)16/h4-9,11-12,20H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 4541371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).