3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C18H17N5O3S — CID 55977222

IUPAC3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C18H17N5O3S/c1-10(24)19-13-6-12(7-14(8-13)20-11(2)25)18(26)21-17-9-15(22-23-17)16-4-3-5-27-16/h3-9H,1-2H3,(H,19,24)(H,20,25)(H2,21,22,23,26)
InChIKeyLBEMXXXTRFSZGW-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.31
Rot. Bonds5

About 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 55977222) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID55977222
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C18H17N5O3S/c1-10(24)19-13-6-12(7-14(8-13)20-11(2)25)18(26)21-17-9-15(22-23-17)16-4-3-5-27-16/h3-9H,1-2H3,(H,19,24)(H,20,25)(H2,21,22,23,26)
InChIKeyLBEMXXXTRFSZGW-UHFFFAOYSA-N
XLogP3.31
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55975946
5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47343826
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47429703
4-amino-3-nitro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719472
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840
1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 55977488
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551556
4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551651
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 60551671
2-methyl-1-methylsulfonyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-2,3-dihydroindole-5-carboxamide
CID 55977225

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 55977222) is 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1.
What is the InChIKey of 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is LBEMXXXTRFSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10(24)19-13-6-12(7-14(8-13)20-11(2)25)18(26)21-17-9-15(22-23-17)16-4-3-5-27-16/h3-9H,1-2H3,(H,19,24)(H,20,25)(H2,21,22,23,26).
What are the key properties of 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 383.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 55977222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).