2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H21N3O3S — CID 2459437

IUPAC2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20(15-5-3-2-4-6-15)13-17(21)19-12-11-14-7-9-16(10-8-14)24(18,22)23/h2-10H,11-13H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyRKFJASMSKZPENO-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.13
Rot. Bonds7

About 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2459437) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2459437
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-20(15-5-3-2-4-6-15)13-17(21)19-12-11-14-7-9-16(10-8-14)24(18,22)23/h2-10H,11-13H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyRKFJASMSKZPENO-UHFFFAOYSA-N
XLogP1.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2459437) is 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RKFJASMSKZPENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(15-5-3-2-4-6-15)13-17(21)19-12-11-14-7-9-16(10-8-14)24(18,22)23/h2-10H,11-13H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2459437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).