[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

C13H14N3O3S2- — CID 5078003

IUPAC[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9(2)12(17)15-10-3-5-11(6-4-10)21(18,19)16-13-14-7-8-20-13/h3-9H,1-2H3,(H2,14,15,16,17)/p-1
InChIKeyXSGYYRGPRPKDND-UHFFFAOYSA-M
MW324.41 g/mol
LogP3.13
Rot. Bonds5

About [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (PubChem CID 5078003) has the molecular formula C13H14N3O3S2- and a molecular weight of 324.41 g/mol. Its IUPAC name is [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Name[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
PubChem CID5078003
Molecular FormulaC13H14N3O3S2-
Molecular Weight324.41 g/mol
Exact Mass324.05
IUPAC Name[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-9(2)12(17)15-10-3-5-11(6-4-10)21(18,19)16-13-14-7-8-20-13/h3-9H,1-2H3,(H2,14,15,16,17)/p-1
InChIKeyXSGYYRGPRPKDND-UHFFFAOYSA-M
XLogP3.13
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747642
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747512
[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 3644922
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
silver [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377461
sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377460
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The IUPAC name of [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (CID 5078003) is [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.
What is the SMILES notation for [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The canonical SMILES for [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1.
What is the InChIKey of [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The InChIKey is XSGYYRGPRPKDND-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15N3O3S2/c1-9(2)12(17)15-10-3-5-11(6-4-10)21(18,19)16-13-14-7-8-20-13/h3-9H,1-2H3,(H2,14,15,16,17)/p-1.
What are the key properties of [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide has a molecular weight of 324.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 5078003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).