N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C21H22ClN3O3S2 — CID 112797360

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H22ClN3O3S2/c1-4-25(5-2)30(27,28)16-11-12-17(22)18(13-16)24-21(26)20-19(23-14(3)29-20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,24,26)
InChIKeySBIPSKXSQUUIGX-UHFFFAOYSA-N
MW464.01 g/mol
LogP5.05
Rot. Bonds7

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 112797360) has the molecular formula C21H22ClN3O3S2 and a molecular weight of 464.01 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID112797360
Molecular FormulaC21H22ClN3O3S2
Molecular Weight464.01 g/mol
Exact Mass463.08
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H22ClN3O3S2/c1-4-25(5-2)30(27,28)16-11-12-17(22)18(13-16)24-21(26)20-19(23-14(3)29-20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,24,26)
InChIKeySBIPSKXSQUUIGX-UHFFFAOYSA-N
XLogP5.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24503840
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675219
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55379148
2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 60568577
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 112797360) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SBIPSKXSQUUIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S2/c1-4-25(5-2)30(27,28)16-11-12-17(22)18(13-16)24-21(26)20-19(23-14(3)29-20)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 464.01 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).