N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide

C19H21N3O4S — CID 3161294

IUPACN-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C19H21N3O4S/c1-13(23)22-15-3-6-17(7-4-15)27(24,25)21-10-9-14-12-20-19-8-5-16(26-2)11-18(14)19/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,22,23)
InChIKeyXOPOFHYFUCDWKN-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.66
Rot. Bonds7

About N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 3161294) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID3161294
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)c2c1
InChIInChI=1S/C19H21N3O4S/c1-13(23)22-15-3-6-17(7-4-15)27(24,25)21-10-9-14-12-20-19-8-5-16(26-2)11-18(14)19/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,22,23)
InChIKeyXOPOFHYFUCDWKN-UHFFFAOYSA-N
XLogP2.66
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide (CID 3161294) is N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide is COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3)c2c1.
What is the InChIKey of N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is XOPOFHYFUCDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(23)22-15-3-6-17(7-4-15)27(24,25)21-10-9-14-12-20-19-8-5-16(26-2)11-18(14)19/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-methoxy-1H-indol-3-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3161294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).