2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

C23H26ClN3O3S2 — CID 60568577

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C23H26ClN3O3S2/c1-5-27(6-2)32(29,30)18-12-13-20(24)19(14-18)22(28)25-15(3)21-16(4)26-23(31-21)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3,(H,25,28)
InChIKeyKXFCNIDCPRHARY-UHFFFAOYSA-N
MW492.07 g/mol
LogP5.29
Rot. Bonds8

About 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 60568577) has the molecular formula C23H26ClN3O3S2 and a molecular weight of 492.07 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID60568577
Molecular FormulaC23H26ClN3O3S2
Molecular Weight492.07 g/mol
Exact Mass491.11
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C23H26ClN3O3S2/c1-5-27(6-2)32(29,30)18-12-13-20(24)19(14-18)22(28)25-15(3)21-16(4)26-23(31-21)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3,(H,25,28)
InChIKeyKXFCNIDCPRHARY-UHFFFAOYSA-N
XLogP5.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.07
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187743
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CID 2478774
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675219
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-chloro-5-(diethylsulfamoyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55364133
6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 60568891
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
2,2-dimethyl-4-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 60568577) is 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)c2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is KXFCNIDCPRHARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S2/c1-5-27(6-2)32(29,30)18-12-13-20(24)19(14-18)22(28)25-15(3)21-16(4)26-23(31-21)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3,(H,25,28).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 492.07 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 60568577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).