N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

C23H25N3O5S2 — CID 16550486

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)ccc1OC
InChIInChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(29,30)19-14-17(12-13-18(19)31-4)22(28)25-23-24-20(21(32-23)15(3)27)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3,(H,24,25,28)
InChIKeyBHYCMRBHQDLTCK-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.30
Rot. Bonds9

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 16550486) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID16550486
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)ccc1OC
InChIInChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(29,30)19-14-17(12-13-18(19)31-4)22(28)25-23-24-20(21(32-23)15(3)27)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3,(H,24,25,28)
InChIKeyBHYCMRBHQDLTCK-UHFFFAOYSA-N
XLogP4.30
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333801
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
CID 26196494

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 16550486) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)ccc1OC.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BHYCMRBHQDLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(29,30)19-14-17(12-13-18(19)31-4)22(28)25-23-24-20(21(32-23)15(3)27)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3,(H,24,25,28).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 487.60 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 16550486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).