4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

C14H18N4O4S2 — CID 120594010

IUPAC4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H18N4O4S2/c1-22-11(9-15)8-13(19)17-10-3-2-4-12(7-10)24(20,21)18-14-16-5-6-23-14/h2-7,11H,8-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyGAERQKXTVSBTCF-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.25
Rot. Bonds8

About 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 120594010) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID120594010
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H18N4O4S2/c1-22-11(9-15)8-13(19)17-10-3-2-4-12(7-10)24(20,21)18-14-16-5-6-23-14/h2-7,11H,8-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyGAERQKXTVSBTCF-UHFFFAOYSA-N
XLogP1.25
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502082
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119341551
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 120594010) is 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is COC(CN)CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is GAERQKXTVSBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-22-11(9-15)8-13(19)17-10-3-2-4-12(7-10)24(20,21)18-14-16-5-6-23-14/h2-7,11H,8-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 370.46 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 120594010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).