N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C21H23N3O4S2 — CID 24644751

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H23N3O4S2/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)23-21(26)20-19(22-14(3)29-20)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,23,26)
InChIKeyURRCRYMZOMDUJU-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.11
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 24644751) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID24644751
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1
InChIInChI=1S/C21H23N3O4S2/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)23-21(26)20-19(22-14(3)29-20)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,23,26)
InChIKeyURRCRYMZOMDUJU-UHFFFAOYSA-N
XLogP4.11
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24503840
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24564160
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194626
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675219
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24564260
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035073
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 24644751) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(C)nc2-c2ccccc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is URRCRYMZOMDUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-4-24(5-2)30(27,28)16-11-12-18(25)17(13-16)23-21(26)20-19(22-14(3)29-20)15-9-7-6-8-10-15/h6-13,25H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24644751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).