2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C18H22N2O4S — CID 17483575

IUPAC2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1cc(CC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-7-8-14(9-17(12)24-3)10-18(21)20-13(2)15-5-4-6-16(11-15)25(19,22)23/h4-9,11,13H,10H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeySTAGZFJIBBPLFI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 17483575) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID17483575
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCOc1cc(CC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-7-8-14(9-17(12)24-3)10-18(21)20-13(2)15-5-4-6-16(11-15)25(19,22)23/h4-9,11,13H,10H2,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeySTAGZFJIBBPLFI-UHFFFAOYSA-N
XLogP2.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
N-[4-[1-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]ethyl]phenyl]propanamide
CID 55656016
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511204
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 55937335
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 52517225

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 17483575) is 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is COc1cc(CC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is STAGZFJIBBPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-7-8-14(9-17(12)24-3)10-18(21)20-13(2)15-5-4-6-16(11-15)25(19,22)23/h4-9,11,13H,10H2,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 17483575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).