N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide

C20H20ClN3O3S2 — CID 75390927

IUPACN-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-7-8-15(23-14(2)25)11-19(13)29(26,27)22-10-9-16-12-28-20(24-16)17-5-3-4-6-18(17)21/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)
InChIKeyPDMQTQYQMOIBCQ-UHFFFAOYSA-N
MW449.99 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide

N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 75390927) has the molecular formula C20H20ClN3O3S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID75390927
Molecular FormulaC20H20ClN3O3S2
Molecular Weight449.99 g/mol
Exact Mass449.06
IUPAC NameN-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C20H20ClN3O3S2/c1-13-7-8-15(23-14(2)25)11-19(13)29(26,27)22-10-9-16-12-28-20(24-16)17-5-3-4-6-18(17)21/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)
InChIKeyPDMQTQYQMOIBCQ-UHFFFAOYSA-N
XLogP4.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110284947
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]cyclopentanamine
CID 110624868
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 4975425
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide (CID 75390927) is N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is PDMQTQYQMOIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S2/c1-13-7-8-15(23-14(2)25)11-19(13)29(26,27)22-10-9-16-12-28-20(24-16)17-5-3-4-6-18(17)21/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide?
N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 449.99 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 75390927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).