2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C19H18ClN3O3S2 — CID 42571000

IUPAC2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(23-12)15-4-2-3-5-16(15)20)18(24)22-11-10-13-6-8-14(9-7-13)28(21,25)26/h2-9H,10-11H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyBYJYTEGKSMUACI-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.39
Rot. Bonds6

About 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 42571000) has the molecular formula C19H18ClN3O3S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID42571000
Molecular FormulaC19H18ClN3O3S2
Molecular Weight435.96 g/mol
Exact Mass435.05
IUPAC Name2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(23-12)15-4-2-3-5-16(15)20)18(24)22-11-10-13-6-8-14(9-7-13)28(21,25)26/h2-9H,10-11H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyBYJYTEGKSMUACI-UHFFFAOYSA-N
XLogP3.39
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
N-[2-(2-hydroxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110427150
3,4-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 35141026
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
4-methyl-N-phenyl-2-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 60620632
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 42571000) is 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BYJYTEGKSMUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S2/c1-12-17(27-19(23-12)15-4-2-3-5-16(15)20)18(24)22-11-10-13-6-8-14(9-7-13)28(21,25)26/h2-9H,10-11H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42571000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).