N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C21H25N3O4S2 — CID 46407903

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C21H25N3O4S2/c1-4-24(5-2)30(26,27)18-9-7-16(8-10-18)13-22-20(25)12-17-14-29-21(23-17)19-11-6-15(3)28-19/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyKGMQGGQSJHDYNA-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.60
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46407903) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46407903
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C21H25N3O4S2/c1-4-24(5-2)30(26,27)18-9-7-16(8-10-18)13-22-20(25)12-17-14-29-21(23-17)19-11-6-15(3)28-19/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyKGMQGGQSJHDYNA-UHFFFAOYSA-N
XLogP3.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39090413
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 46422498
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 55798951
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55618608
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 55607641
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39518233
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46407903) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KGMQGGQSJHDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-4-24(5-2)30(26,27)18-9-7-16(8-10-18)13-22-20(25)12-17-14-29-21(23-17)19-11-6-15(3)28-19/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46407903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).