N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide

C13H20N2O4S — CID 114876342

IUPACN-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)7-13(16)15-11-8-10(20(14,17)18)5-6-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVSTZWCHYBDQBNV-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.72
Rot. Bonds6

About N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide

N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide (PubChem CID 114876342) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
PubChem CID114876342
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-9(2)7-13(16)15-11-8-10(20(14,17)18)5-6-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVSTZWCHYBDQBNV-UHFFFAOYSA-N
XLogP1.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
CID 114875807
(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
CID 60549995
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide (CID 114876342) is N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide?
The InChIKey is VSTZWCHYBDQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9(2)7-13(16)15-11-8-10(20(14,17)18)5-6-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide?
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide has a molecular weight of 300.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide is sourced from PubChem (CID 114876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).