3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide

C13H21N3O4S — CID 81070768

IUPAC3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H21N3O4S/c1-3-9(8-14)6-13(17)16-11-7-10(21(15,18)19)4-5-12(11)20-2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyGLRRNSSSKYWELM-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.66
Rot. Bonds7

About 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide

3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide (PubChem CID 81070768) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
PubChem CID81070768
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H21N3O4S/c1-3-9(8-14)6-13(17)16-11-7-10(21(15,18)19)4-5-12(11)20-2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyGLRRNSSSKYWELM-UHFFFAOYSA-N
XLogP0.66
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
CID 60549995
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
N-(2-methoxy-5-sulfamoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51281096
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide (CID 81070768) is 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide is CCC(CN)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide?
The InChIKey is GLRRNSSSKYWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-9(8-14)6-13(17)16-11-7-10(21(15,18)19)4-5-12(11)20-2/h4-5,7,9H,3,6,8,14H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide?
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide has a molecular weight of 315.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 81070768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).