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

C19H19N3O3S2 — CID 55437304

IUPACN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S2/c1-13(14-8-10-16(11-9-14)27(20,24)25)22(2)19(23)17-12-26-18(21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,20,24,25)
InChIKeyJDRMBKCMPSFLDT-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.29
Rot. Bonds5

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

N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55437304) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55437304
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O3S2/c1-13(14-8-10-16(11-9-14)27(20,24)25)22(2)19(23)17-12-26-18(21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,20,24,25)
InChIKeyJDRMBKCMPSFLDT-UHFFFAOYSA-N
XLogP3.29
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
N-methyl-2-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 26817104
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55550855
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 26004581
2-(3-chlorophenyl)-N,4-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 46635368
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51650990
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 55437304) is N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JDRMBKCMPSFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13(14-8-10-16(11-9-14)27(20,24)25)22(2)19(23)17-12-26-18(21-17)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,20,24,25).
What are the key properties of N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55437304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).