4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

C14H23N3O4S — CID 120587040

IUPAC4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-10(2)17-22(19,20)13-6-4-11(5-7-13)16-14(18)8-12(9-15)21-3/h4-7,10,12,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyCQQIXYMVOKACGH-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.68
Rot. Bonds8

About 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide

4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 120587040) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
PubChem CID120587040
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H23N3O4S/c1-10(2)17-22(19,20)13-6-4-11(5-7-13)16-14(18)8-12(9-15)21-3/h4-7,10,12,17H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyCQQIXYMVOKACGH-UHFFFAOYSA-N
XLogP0.68
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
2-(4-methoxyphenyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 2222071
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-(methylamino)-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119685718
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide (CID 120587040) is 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is CQQIXYMVOKACGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-10(2)17-22(19,20)13-6-4-11(5-7-13)16-14(18)8-12(9-15)21-3/h4-7,10,12,17H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide?
4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 329.42 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 120587040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).