2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide

C14H22N2O4S — CID 65374268

IUPAC2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-11(5-2)16-14(17)9-10-6-7-12(20-3)13(8-10)21(15,18)19/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFCTHUFREPIZCHP-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.19
Rot. Bonds7

About 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide

2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide (PubChem CID 65374268) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
PubChem CID65374268
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O4S/c1-4-11(5-2)16-14(17)9-10-6-7-12(20-3)13(8-10)21(15,18)19/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyFCTHUFREPIZCHP-UHFFFAOYSA-N
XLogP1.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 166195849
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide (CID 65374268) is 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide?
The InChIKey is FCTHUFREPIZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-11(5-2)16-14(17)9-10-6-7-12(20-3)13(8-10)21(15,18)19/h6-8,11H,4-5,9H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide?
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide has a molecular weight of 314.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 65374268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).