3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide

C14H22N2O3S — CID 11779448

IUPAC3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESCCCC(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-4-11(2)9-14(17)16-10-12-5-7-13(8-6-12)20(15,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySIVUTQDJJYMPOI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.78
Rot. Bonds7

About 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide

3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide (PubChem CID 11779448) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
PubChem CID11779448
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
SMILESCCCC(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-3-4-11(2)9-14(17)16-10-12-5-7-13(8-6-12)20(15,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySIVUTQDJJYMPOI-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 60652957
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide (CID 11779448) is 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide.
What is the SMILES notation for 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The canonical SMILES for 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide is CCCC(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide?
The InChIKey is SIVUTQDJJYMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-11(2)9-14(17)16-10-12-5-7-13(8-6-12)20(15,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide?
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide has a molecular weight of 298.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide is sourced from PubChem (CID 11779448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).