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

C18H26N4O3S2 — CID 78848202

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C18H26N4O3S2/c1-6-19-15-10-9-14(27(24,25)22(7-2)8-3)11-16(15)21-18(23)17-12(4)20-13(5)26-17/h9-11,19H,6-8H2,1-5H3,(H,21,23)
InChIKeyQTNNXHXXUBXKSF-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.47
Rot. Bonds8

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

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 78848202) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID78848202
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C18H26N4O3S2/c1-6-19-15-10-9-14(27(24,25)22(7-2)8-3)11-16(15)21-18(23)17-12(4)20-13(5)26-17/h9-11,19H,6-8H2,1-5H3,(H,21,23)
InChIKeyQTNNXHXXUBXKSF-UHFFFAOYSA-N
XLogP3.47
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18268792
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48980775
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
CID 4839383

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 78848202) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1sc(C)nc1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QTNNXHXXUBXKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-6-19-15-10-9-14(27(24,25)22(7-2)8-3)11-16(15)21-18(23)17-12(4)20-13(5)26-17/h9-11,19H,6-8H2,1-5H3,(H,21,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 410.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78848202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).