N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

C23H23N5O5S2 — CID 16954988

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)cc1
InChIInChI=1S/C23H23N5O5S2/c1-4-32-18-9-5-17(6-10-18)25-23-26-20(13-34-23)21(29)24-16-7-11-19(12-8-16)35(30,31)28-22-14(2)15(3)27-33-22/h5-13,28H,4H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyCAEFXYKNMRRKIM-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.94
Rot. Bonds9

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16954988) has the molecular formula C23H23N5O5S2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16954988
Molecular FormulaC23H23N5O5S2
Molecular Weight513.60 g/mol
Exact Mass513.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)cc1
InChIInChI=1S/C23H23N5O5S2/c1-4-32-18-9-5-17(6-10-18)25-23-26-20(13-34-23)21(29)24-16-7-11-19(12-8-16)35(30,31)28-22-14(2)15(3)27-33-22/h5-13,28H,4H2,1-3H3,(H,24,29)(H,25,26)
InChIKeyCAEFXYKNMRRKIM-UHFFFAOYSA-N
XLogP4.94
TPSA135.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 16955167
2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-ethylphenoxy)propanamide
CID 108795812
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)acetamide
CID 987756
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16954988) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is CCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is CAEFXYKNMRRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S2/c1-4-32-18-9-5-17(6-10-18)25-23-26-20(13-34-23)21(29)24-16-7-11-19(12-8-16)35(30,31)28-22-14(2)15(3)27-33-22/h5-13,28H,4H2,1-3H3,(H,24,29)(H,25,26).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 4.94, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).