2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

C18H21N5O4S2 — CID 5309966

IUPAC2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H21N5O4S2/c1-12-17(13(2)22(3)21-12)29(25,26)23(14-5-7-15(27-4)8-6-14)11-16(24)20-18-19-9-10-28-18/h5-10H,11H2,1-4H3,(H,19,20,24)
InChIKeyZBPYDJUMYJBBQZ-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.34
Rot. Bonds7

About 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide

2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5309966) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5309966
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H21N5O4S2/c1-12-17(13(2)22(3)21-12)29(25,26)23(14-5-7-15(27-4)8-6-14)11-16(24)20-18-19-9-10-28-18/h5-10H,11H2,1-4H3,(H,19,20,24)
InChIKeyZBPYDJUMYJBBQZ-UHFFFAOYSA-N
XLogP2.34
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide (CID 5309966) is 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZBPYDJUMYJBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-12-17(13(2)22(3)21-12)29(25,26)23(14-5-7-15(27-4)8-6-14)11-16(24)20-18-19-9-10-28-18/h5-10H,11H2,1-4H3,(H,19,20,24).
What are the key properties of 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5309966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).