(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide

C23H29N5O4S — CID 66859247

IUPAC(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide
SMILESCc1nn(C)c(-n2ccc3ccc(OC(C)C)cc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1
InChIInChI=1S/C23H29N5O4S/c1-15(2)32-19-8-7-18-11-12-28(21(18)13-19)23-20(16(3)25-27(23)4)9-10-22(29)26-33(30,31)24-14-17-5-6-17/h7-13,15,17,24H,5-6,14H2,1-4H3,(H,26,29)/b10-9+
InChIKeyWCCJPUOOZVBXCN-MDZDMXLPSA-N
MW471.58 g/mol
LogP2.83
Rot. Bonds9

About (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide

(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide (PubChem CID 66859247) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide
PubChem CID66859247
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide
SMILESCc1nn(C)c(-n2ccc3ccc(OC(C)C)cc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1
InChIInChI=1S/C23H29N5O4S/c1-15(2)32-19-8-7-18-11-12-28(21(18)13-19)23-20(16(3)25-27(23)4)9-10-22(29)26-33(30,31)24-14-17-5-6-17/h7-13,15,17,24H,5-6,14H2,1-4H3,(H,26,29)/b10-9+
InChIKeyWCCJPUOOZVBXCN-MDZDMXLPSA-N
XLogP2.83
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide (CID 66859247) is (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide is Cc1nn(C)c(-n2ccc3ccc(OC(C)C)cc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1.
What is the InChIKey of (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide?
The InChIKey is WCCJPUOOZVBXCN-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-15(2)32-19-8-7-18-11-12-28(21(18)13-19)23-20(16(3)25-27(23)4)9-10-22(29)26-33(30,31)24-14-17-5-6-17/h7-13,15,17,24H,5-6,14H2,1-4H3,(H,26,29)/b10-9+.
What are the key properties of (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide?
(E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide has a molecular weight of 471.58 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethylsulfamoyl)-3-[1,3-dimethyl-5-(6-propan-2-yloxyindol-1-yl)pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 66859247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).