3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide

C14H22N2O3S — CID 114876353

IUPAC3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
SMILESCCC(C)CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)8-14(17)16-11(3)12-6-5-7-13(9-12)20(15,18)19/h5-7,9-11H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyUJXLGRRVMDBYHQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.95
Rot. Bonds6

About 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide

3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 114876353) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
PubChem CID114876353
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
SMILESCCC(C)CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)8-14(17)16-11(3)12-6-5-7-13(9-12)20(15,18)19/h5-7,9-11H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyUJXLGRRVMDBYHQ-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-5-phenyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 52517225
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 51213557
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide (CID 114876353) is 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide is CCC(C)CC(=O)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is UJXLGRRVMDBYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10(2)8-14(17)16-11(3)12-6-5-7-13(9-12)20(15,18)19/h5-7,9-11H,4,8H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide?
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 298.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 114876353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).