2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

C23H21N5O2S — CID 4641601

IUPAC2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H21N5O2S/c1-30-20-11-6-5-10-19(20)24-15-22(29)26-25-14-17-16-28(18-8-3-2-4-9-18)27-23(17)21-12-7-13-31-21/h2-14,16,24H,15H2,1H3,(H,26,29)
InChIKeyBIWSHVOIOPZHGE-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.17
Rot. Bonds8

About 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 4641601) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID4641601
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C23H21N5O2S/c1-30-20-11-6-5-10-19(20)24-15-22(29)26-25-14-17-16-28(18-8-3-2-4-9-18)27-23(17)21-12-7-13-31-21/h2-14,16,24H,15H2,1H3,(H,26,29)
InChIKeyBIWSHVOIOPZHGE-UHFFFAOYSA-N
XLogP4.17
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974950
1-(2-methoxyphenyl)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
CID 29147920
3-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]propanamide
CID 1283174
1-phenyl-3-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 56727062
4-fluoro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6180975
2-bromo-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 5151763
2-amino-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 21370941
2-(2-methoxyphenoxy)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 5456741
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 26243311
N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 1285189
1-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2391067
N-[(Z)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126395714

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide (CID 4641601) is 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is COc1ccccc1NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is BIWSHVOIOPZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-30-20-11-6-5-10-19(20)24-15-22(29)26-25-14-17-16-28(18-8-3-2-4-9-18)27-23(17)21-12-7-13-31-21/h2-14,16,24H,15H2,1H3,(H,26,29).
What are the key properties of 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide?
2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 431.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 4641601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).