N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C19H18N4O4S2 — CID 46468648

IUPACN-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O4S2/c1-20-29(26,27)16-9-5-8-14(10-16)21-17(24)11-15-12-28-19(22-15)23-18(25)13-6-3-2-4-7-13/h2-10,12,20H,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyLDICYWIZHLVISS-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds7

About N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46468648) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46468648
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H18N4O4S2/c1-20-29(26,27)16-9-5-8-14(10-16)21-17(24)11-15-12-28-19(22-15)23-18(25)13-6-3-2-4-7-13/h2-10,12,20H,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyLDICYWIZHLVISS-UHFFFAOYSA-N
XLogP2.48
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191490
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51185034
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 55620257
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 46468648) is N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CNS(=O)(=O)c1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LDICYWIZHLVISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-20-29(26,27)16-9-5-8-14(10-16)21-17(24)11-15-12-28-19(22-15)23-18(25)13-6-3-2-4-7-13/h2-10,12,20H,11H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(methylsulfamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).