2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride

C15H21ClN4O3S2 — CID 119814954

IUPAC2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl
InChIInChI=1S/C15H20N4O3S2.ClH/c1-3-7-15(2,16)13(20)18-11-5-4-6-12(10-11)24(21,22)19-14-17-8-9-23-14;/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyVQIYOABRBUEINC-UHFFFAOYSA-N
MW404.95 g/mol
LogP2.82
Rot. Bonds7

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

2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride (PubChem CID 119814954) has the molecular formula C15H21ClN4O3S2 and a molecular weight of 404.95 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
PubChem CID119814954
Molecular FormulaC15H21ClN4O3S2
Molecular Weight404.95 g/mol
Exact Mass404.07
IUPAC Name2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl
InChIInChI=1S/C15H20N4O3S2.ClH/c1-3-7-15(2,16)13(20)18-11-5-4-6-12(10-11)24(21,22)19-14-17-8-9-23-14;/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyVQIYOABRBUEINC-UHFFFAOYSA-N
XLogP2.82
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
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
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
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
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
2-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 119864454
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride (CID 119814954) is 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride?
The InChIKey is VQIYOABRBUEINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2.ClH/c1-3-7-15(2,16)13(20)18-11-5-4-6-12(10-11)24(21,22)19-14-17-8-9-23-14;/h4-6,8-10H,3,7,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride has a molecular weight of 404.95 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119814954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).