N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

C18H17N3O3S2 — CID 43836440

IUPACN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12-16(11-13-7-9-15(10-8-13)26(19,23)24)25-18(20-12)21-17(22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyQWRKSTNBGMDDQH-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.94
Rot. Bonds5

About N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide

N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 43836440) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID43836440
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12-16(11-13-7-9-15(10-8-13)26(19,23)24)25-18(20-12)21-17(22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyQWRKSTNBGMDDQH-UHFFFAOYSA-N
XLogP2.94
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836602
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43837057
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 43836440) is N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QWRKSTNBGMDDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-16(11-13-7-9-15(10-8-13)26(19,23)24)25-18(20-12)21-17(22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 387.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43836440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).