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

C14H18N4O3S2 — CID 120502083

IUPAC3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H18N4O3S2/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIPOSRPIODRVZRF-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.87
Rot. Bonds6

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

3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 120502083) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID120502083
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C14H18N4O3S2/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIPOSRPIODRVZRF-UHFFFAOYSA-N
XLogP1.87
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502082
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119341551
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 120502083) is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is IPOSRPIODRVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 354.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 120502083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).